(6-methanimidoylcyclohex-2-en-1-ylidene)methanone

C8H9NO — CID 57305832

IUPAC(6-methanimidoylcyclohex-2-en-1-ylidene)methanone
SMILES[H]/N=C/C1CCC=CC1=C=O
InChIInChI=1S/C8H9NO/c9-5-7-3-1-2-4-8(7)6-10/h2,4-5,7,9H,1,3H2/b9-5+
InChIKeyQMVDTEMVSGEQFJ-WEVVVXLNSA-N
MW135.17 g/mol
LogP1.36
Rot. Bonds1

About (6-methanimidoylcyclohex-2-en-1-ylidene)methanone

(6-methanimidoylcyclohex-2-en-1-ylidene)methanone (PubChem CID 57305832) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (6-methanimidoylcyclohex-2-en-1-ylidene)methanone.

Molecular Properties

Compound Name(6-methanimidoylcyclohex-2-en-1-ylidene)methanone
PubChem CID57305832
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(6-methanimidoylcyclohex-2-en-1-ylidene)methanone
SMILES[H]/N=C/C1CCC=CC1=C=O
InChIInChI=1S/C8H9NO/c9-5-7-3-1-2-4-8(7)6-10/h2,4-5,7,9H,1,3H2/b9-5+
InChIKeyQMVDTEMVSGEQFJ-WEVVVXLNSA-N
XLogP1.36
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(Ethyliminomethyl)cyclohex-2-en-1-ylidene]methanone
CID 57295183
3-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 89893781
6-Methanimidoylcyclohex-3-en-1-one
CID 91187255
(4-Methylidenecyclohex-2-en-1-yl)methanimine
CID 123811103
Prop-1-ene;(2,4,5-trimethylcyclohexa-2,4-dien-1-yl)methanimine
CID 143243657
(2,4,5-Trimethylcyclohexa-2,4-dien-1-yl)methanimine
CID 143243658

Frequently Asked Questions

What is the IUPAC name of (6-methanimidoylcyclohex-2-en-1-ylidene)methanone?
The IUPAC name of (6-methanimidoylcyclohex-2-en-1-ylidene)methanone (CID 57305832) is (6-methanimidoylcyclohex-2-en-1-ylidene)methanone.
What is the SMILES notation for (6-methanimidoylcyclohex-2-en-1-ylidene)methanone?
The canonical SMILES for (6-methanimidoylcyclohex-2-en-1-ylidene)methanone is [H]/N=C/C1CCC=CC1=C=O.
What is the InChIKey of (6-methanimidoylcyclohex-2-en-1-ylidene)methanone?
The InChIKey is QMVDTEMVSGEQFJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H9NO/c9-5-7-3-1-2-4-8(7)6-10/h2,4-5,7,9H,1,3H2/b9-5+.
What are the key properties of (6-methanimidoylcyclohex-2-en-1-ylidene)methanone?
(6-methanimidoylcyclohex-2-en-1-ylidene)methanone has a molecular weight of 135.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methanimidoylcyclohex-2-en-1-ylidene)methanone is sourced from PubChem (CID 57305832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).