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1-Cyclopropyl-3-(dimethylamino)propan-1-one

HCID 231985
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
5465-10-1
Standard SMILES
CN(C)CCC(=O)C1CC1
InChIKey
QPLWVAAWUVMODW-UHFFFAOYSA-N
Molecular formula
C8H15NO
Average molar mass
141.21 g/mol
Monoisotopic mass
141.1153641

Names & identifiers

Preferred name
1-Cyclopropyl-3-(dimethylamino)propan-1-one
IUPAC
1-cyclopropyl-3-(dimethylamino)propan-1-one

Names & synonyms

5465-10-11-cyclopropyl-3-(dimethylamino)propan-1-oneNSC28979SCHEMBL11708731DTXSID30282958QPLWVAAWUVMODW-UHFFFAOYSA-NNSC-28979cyclopropyl 2-dimethylaminoethyl ketone1-cyclopropyl-3-dimethylamino-1-propanone

Database identifiers

CAS
5465-10-1
PubChem CID
231985
DTXSID
DTXSID30282958

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
127

Related reactions

11 records
New reaction record
HRID 138404 reaction equation
HRID 138404As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 437602 reaction equation
HRID 437602As reactantuspto-grants-1977_06
HRID 437603 reaction equation
HRID 437603As reactantuspto-grants-1977_06
HRID 1131767 reaction equation
HRID 1131767As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1284189 reaction equation
HRID 1284189As reactantuspto-grants-1976_08
HRID 1284190 reaction equation
HRID 1284190As reactantuspto-grants-1976_08
HRID 1284196 reaction equation
HRID 1284196As reactantuspto-grants-1976_08
HRID 1284199 reaction equation
HRID 1284199As reactantuspto-grants-1976_08
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Compound notes

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