3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one

C9H11NO — CID 123945808

IUPAC3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one
SMILESC=CC1=C(N=C)C(=O)CCC1
InChIInChI=1S/C9H11NO/c1-3-7-5-4-6-8(11)9(7)10-2/h3H,1-2,4-6H2
InChIKeyMWGNLFJYZWVXDA-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds2

About 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one

3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one (PubChem CID 123945808) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one
PubChem CID123945808
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one
SMILESC=CC1=C(N=C)C(=O)CCC1
InChIInChI=1S/C9H11NO/c1-3-7-5-4-6-8(11)9(7)10-2/h3H,1-2,4-6H2
InChIKeyMWGNLFJYZWVXDA-UHFFFAOYSA-N
XLogP1.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
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 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one?
The IUPAC name of 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one (CID 123945808) is 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one is C=CC1=C(N=C)C(=O)CCC1.
What is the InChIKey of 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one?
The InChIKey is MWGNLFJYZWVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-7-5-4-6-8(11)9(7)10-2/h3H,1-2,4-6H2.
What are the key properties of 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one?
3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(methylideneamino)cyclohex-2-en-1-one is sourced from PubChem (CID 123945808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).