2-imino-1-(2-methylcyclohexen-1-yl)ethanone

C9H13NO — CID 56626908

IUPAC2-imino-1-(2-methylcyclohexen-1-yl)ethanone
SMILES[H]/N=C/C(=O)C1=C(C)CCCC1
InChIInChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(11)6-10/h6,10H,2-5H2,1H3/b10-6+
InChIKeyGOOZNZFINVFMEN-UXBLZVDNSA-N
MW151.21 g/mol
LogP2.10
Rot. Bonds2

About 2-imino-1-(2-methylcyclohexen-1-yl)ethanone

2-imino-1-(2-methylcyclohexen-1-yl)ethanone (PubChem CID 56626908) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-imino-1-(2-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-imino-1-(2-methylcyclohexen-1-yl)ethanone
PubChem CID56626908
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-imino-1-(2-methylcyclohexen-1-yl)ethanone
SMILES[H]/N=C/C(=O)C1=C(C)CCCC1
InChIInChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(11)6-10/h6,10H,2-5H2,1H3/b10-6+
InChIKeyGOOZNZFINVFMEN-UXBLZVDNSA-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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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(2-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-imino-1-(2-methylcyclohexen-1-yl)ethanone (CID 56626908) is 2-imino-1-(2-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-imino-1-(2-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-imino-1-(2-methylcyclohexen-1-yl)ethanone is [H]/N=C/C(=O)C1=C(C)CCCC1.
What is the InChIKey of 2-imino-1-(2-methylcyclohexen-1-yl)ethanone?
The InChIKey is GOOZNZFINVFMEN-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-2-3-5-8(7)9(11)6-10/h6,10H,2-5H2,1H3/b10-6+.
What are the key properties of 2-imino-1-(2-methylcyclohexen-1-yl)ethanone?
2-imino-1-(2-methylcyclohexen-1-yl)ethanone 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 2-imino-1-(2-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 56626908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).