Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl
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Basic information
- CAS
22056-53-7- Standard SMILES
CC(=O)c1c(C)[nH]c2c1CCC2- InChIKey
DSAVZMAQFKZAHF-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl
- IUPAC
- 1-(2-methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-3-yl)ethanone
- English name
- Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl (8CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 0
Names & synonyms
22056-53-7BRN 1448129KETONE, METHYL 1,4,5,6-TETRAHYDRO-2-METHYLCYCLOPENTA(b)PYRROL-3-YLDTXSID00176537Methyl 1,4,5,6-tetrahydro-2-methylcyclopenta(b)pyrrol-3-yl ketone5-21-07-00456 (Beilstein Handbook Reference)ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-ylRefChem:350472DTXCID5099028AKOS006280159Ketone, methyl 1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl (8CI)1-(2-Methyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-3-yl)ethan-1-one
Show more names
Methyl(1,4,5,6-tetrahydro-2-methylcyclopenta[b]pyrrol-3-yl) ketone
Database identifiers
- CAS
22056-53-7- PubChem CID
- 30924
- DTXSID
DTXSID00176537- Nikkaji
- J62.533G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.0508 · 1.0508 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- CAS DataBase Reference
- 22056 · 22056-53-7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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