(Z)-2-(propan-2-ylamino)hept-2-en-4-one

C10H19NO — CID 11805168

IUPAC(Z)-2-(propan-2-ylamino)hept-2-en-4-one
SMILESCCCC(=O)/C=C(/C)NC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11H,5-6H2,1-4H3/b9-7-
InChIKeyCPLMLYQVWCEFLM-CLFYSBASSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds5

About (Z)-2-(propan-2-ylamino)hept-2-en-4-one

(Z)-2-(propan-2-ylamino)hept-2-en-4-one (PubChem CID 11805168) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2-(propan-2-ylamino)hept-2-en-4-one.

Molecular Properties

Compound Name(Z)-2-(propan-2-ylamino)hept-2-en-4-one
PubChem CID11805168
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-2-(propan-2-ylamino)hept-2-en-4-one
SMILESCCCC(=O)/C=C(/C)NC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11H,5-6H2,1-4H3/b9-7-
InChIKeyCPLMLYQVWCEFLM-CLFYSBASSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(propan-2-ylamino)hept-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(propan-2-ylamino)hept-2-en-4-one?
The IUPAC name of (Z)-2-(propan-2-ylamino)hept-2-en-4-one (CID 11805168) is (Z)-2-(propan-2-ylamino)hept-2-en-4-one.
What is the SMILES notation for (Z)-2-(propan-2-ylamino)hept-2-en-4-one?
The canonical SMILES for (Z)-2-(propan-2-ylamino)hept-2-en-4-one is CCCC(=O)/C=C(/C)NC(C)C.
What is the InChIKey of (Z)-2-(propan-2-ylamino)hept-2-en-4-one?
The InChIKey is CPLMLYQVWCEFLM-CLFYSBASSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(12)7-9(4)11-8(2)3/h7-8,11H,5-6H2,1-4H3/b9-7-.
What are the key properties of (Z)-2-(propan-2-ylamino)hept-2-en-4-one?
(Z)-2-(propan-2-ylamino)hept-2-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(propan-2-ylamino)hept-2-en-4-one is sourced from PubChem (CID 11805168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).