1-(6-iminocyclohexen-1-yl)propan-2-one

C9H13NO — CID 91240495

IUPAC1-(6-iminocyclohexen-1-yl)propan-2-one
SMILES[H]/N=C1\CCCC=C1CC(C)=O
InChIInChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h4,10H,2-3,5-6H2,1H3/b10-9+
InChIKeyVNWLNCRXZGSLGL-MDZDMXLPSA-N
MW151.21 g/mol
LogP2.10
Rot. Bonds2

About 1-(6-iminocyclohexen-1-yl)propan-2-one

1-(6-iminocyclohexen-1-yl)propan-2-one (PubChem CID 91240495) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(6-iminocyclohexen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-iminocyclohexen-1-yl)propan-2-one
PubChem CID91240495
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(6-iminocyclohexen-1-yl)propan-2-one
SMILES[H]/N=C1\CCCC=C1CC(C)=O
InChIInChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h4,10H,2-3,5-6H2,1H3/b10-9+
InChIKeyVNWLNCRXZGSLGL-MDZDMXLPSA-N
XLogP2.10
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-Diimino-3-methylcyclohex-2-en-1-one
CID 56990817
4,6-Diimino-3-methylcyclohex-2-en-1-one
CID 57285675
2-Diazo-4-ethylcyclohex-3-en-1-one
CID 58241638
3-Ethanimidoyl-4-ethenylcyclohex-3-en-1-one
CID 88940884
(Z)-3-iminodec-7-en-2-one
CID 88953848
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
2-Imino-4-methylcyclohex-3-en-1-one
CID 123583551
3-Imino-5-methylcyclohept-4-en-1-one
CID 123864100
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543
(8E)-16-iminocyclohexadec-8-en-1-one
CID 145054293

Frequently Asked Questions

What is the IUPAC name of 1-(6-iminocyclohexen-1-yl)propan-2-one?
The IUPAC name of 1-(6-iminocyclohexen-1-yl)propan-2-one (CID 91240495) is 1-(6-iminocyclohexen-1-yl)propan-2-one.
What is the SMILES notation for 1-(6-iminocyclohexen-1-yl)propan-2-one?
The canonical SMILES for 1-(6-iminocyclohexen-1-yl)propan-2-one is [H]/N=C1\CCCC=C1CC(C)=O.
What is the InChIKey of 1-(6-iminocyclohexen-1-yl)propan-2-one?
The InChIKey is VNWLNCRXZGSLGL-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)6-8-4-2-3-5-9(8)10/h4,10H,2-3,5-6H2,1H3/b10-9+.
What are the key properties of 1-(6-iminocyclohexen-1-yl)propan-2-one?
1-(6-iminocyclohexen-1-yl)propan-2-one has a molecular weight of 151.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iminocyclohexen-1-yl)propan-2-one is sourced from PubChem (CID 91240495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).