3-imino-2-prop-2-enylidenecyclohexan-1-one

C9H11NO — CID 71427208

IUPAC3-imino-2-prop-2-enylidenecyclohexan-1-one
SMILES[H]/N=C1\CCCC(=O)C1=CC=C
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4?,10-8+
InChIKeyBBSBMUPAUVZDMT-CCKOKUNNSA-N
MW149.19 g/mol
LogP1.87
Rot. Bonds1

About 3-imino-2-prop-2-enylidenecyclohexan-1-one

3-imino-2-prop-2-enylidenecyclohexan-1-one (PubChem CID 71427208) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-imino-2-prop-2-enylidenecyclohexan-1-one.

Molecular Properties

Compound Name3-imino-2-prop-2-enylidenecyclohexan-1-one
PubChem CID71427208
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-imino-2-prop-2-enylidenecyclohexan-1-one
SMILES[H]/N=C1\CCCC(=O)C1=CC=C
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4?,10-8+
InChIKeyBBSBMUPAUVZDMT-CCKOKUNNSA-N
XLogP1.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-prop-2-enylidenecyclohexan-1-one?
The IUPAC name of 3-imino-2-prop-2-enylidenecyclohexan-1-one (CID 71427208) is 3-imino-2-prop-2-enylidenecyclohexan-1-one.
What is the SMILES notation for 3-imino-2-prop-2-enylidenecyclohexan-1-one?
The canonical SMILES for 3-imino-2-prop-2-enylidenecyclohexan-1-one is [H]/N=C1\CCCC(=O)C1=CC=C.
What is the InChIKey of 3-imino-2-prop-2-enylidenecyclohexan-1-one?
The InChIKey is BBSBMUPAUVZDMT-CCKOKUNNSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4?,10-8+.
What are the key properties of 3-imino-2-prop-2-enylidenecyclohexan-1-one?
3-imino-2-prop-2-enylidenecyclohexan-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-prop-2-enylidenecyclohexan-1-one is sourced from PubChem (CID 71427208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).