1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one

C10H15NO — CID 146644635

IUPAC1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one
SMILES[H]/N=C(\C(C)=O)C1=C(C)CCCC1
InChIInChI=1S/C10H15NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h11H,3-6H2,1-2H3/b11-10+
InChIKeyOCJVISCHMAQYBQ-ZHACJKMWSA-N
MW165.24 g/mol
LogP2.49
Rot. Bonds2

About 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one

1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one (PubChem CID 146644635) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one
PubChem CID146644635
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one
SMILES[H]/N=C(\C(C)=O)C1=C(C)CCCC1
InChIInChI=1S/C10H15NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h11H,3-6H2,1-2H3/b11-10+
InChIKeyOCJVISCHMAQYBQ-ZHACJKMWSA-N
XLogP2.49
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one?
The IUPAC name of 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one (CID 146644635) is 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one.
What is the SMILES notation for 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one?
The canonical SMILES for 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one is [H]/N=C(\C(C)=O)C1=C(C)CCCC1.
What is the InChIKey of 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one?
The InChIKey is OCJVISCHMAQYBQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-5-3-4-6-9(7)10(11)8(2)12/h11H,3-6H2,1-2H3/b11-10+.
What are the key properties of 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one?
1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-1-(2-methylcyclohexen-1-yl)propan-2-one is sourced from PubChem (CID 146644635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).