4-methanimidoylcyclopent-2-en-1-one

C6H7NO — CID 56977106

IUPAC4-methanimidoylcyclopent-2-en-1-one
SMILES[H]/N=C/C1C=CC(=O)C1
InChIInChI=1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h1-2,4-5,7H,3H2/b7-4+
InChIKeyAVLBVAAUIPBRPI-QPJJXVBHSA-N
MW109.13 g/mol
LogP0.78
Rot. Bonds1

About 4-methanimidoylcyclopent-2-en-1-one

4-methanimidoylcyclopent-2-en-1-one (PubChem CID 56977106) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-methanimidoylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-methanimidoylcyclopent-2-en-1-one
PubChem CID56977106
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-methanimidoylcyclopent-2-en-1-one
SMILES[H]/N=C/C1C=CC(=O)C1
InChIInChI=1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h1-2,4-5,7H,3H2/b7-4+
InChIKeyAVLBVAAUIPBRPI-QPJJXVBHSA-N
XLogP0.78
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.78
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 4-methanimidoylcyclopent-2-en-1-one?
The IUPAC name of 4-methanimidoylcyclopent-2-en-1-one (CID 56977106) is 4-methanimidoylcyclopent-2-en-1-one.
What is the SMILES notation for 4-methanimidoylcyclopent-2-en-1-one?
The canonical SMILES for 4-methanimidoylcyclopent-2-en-1-one is [H]/N=C/C1C=CC(=O)C1.
What is the InChIKey of 4-methanimidoylcyclopent-2-en-1-one?
The InChIKey is AVLBVAAUIPBRPI-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h1-2,4-5,7H,3H2/b7-4+.
What are the key properties of 4-methanimidoylcyclopent-2-en-1-one?
4-methanimidoylcyclopent-2-en-1-one has a molecular weight of 109.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclopent-2-en-1-one is sourced from PubChem (CID 56977106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).