3,9-Dimethyl-3,9-diazabicyclo(4.2.1)nonan-4-one

HCID 282181

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Basic information

CAS: 1128-77-4
Standard SMILES: CN1CC2CCC(CC1=O)N2C
InChIKey: HNDXTHOYSWHZEI-UHFFFAOYSA-N
Molecular formula: C9H16N2O
Average molar mass: 168.24 g/mol
Monoisotopic mass: 168.12626314

Names & identifiers

Preferred name: 3,9-Dimethyl-3,9-diazabicyclo(4.2.1)nonan-4-one
IUPAC: 3,9-dimethyl-3,9-diazabicyclo[4.2.1]nonan-4-one

Names & synonyms

1128-77-43,9-Dimethyl-3,9-diazabicyclo[4.2.1]nonan-4-one3,9-Dimethyl-3,9-diazabicyclo(4.2.1)nonan-4-oneRefChem:272805NSC135362NSC 1353624,9-dimethyl-4,9-diazabicyclo[4.2.1]nonan-3-one3,9-Diazabicyclo[4.2.1]nonan-4-one, 3,9-dimethyl-DTXSID10300205HNDXTHOYSWHZEI-UHFFFAOYSA-NAKOS040765651NSC-135362

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3,9-Dimethyl-3,9-diazabicyclo[4.2.1]nonan-4-one #

Database identifiers

CAS: 1128-77-4
PubChem CID: 282181
DTXSID: DTXSID10300205

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 205

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