(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one

C15H20N2O — CID 10444787

IUPAC(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one
SMILES[H]/N=C(/C/C(=C/C(C)=O)NC(C)C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)17-14(9-12(3)18)10-15(16)13-7-5-4-6-8-13/h4-9,11,16-17H,10H2,1-3H3/b14-9-,16-15-
InChIKeyIRDIBQUEYWGMFI-JWUKZIGWSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds6

About (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one

(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one (PubChem CID 10444787) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one.

Molecular Properties

Compound Name(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one
PubChem CID10444787
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one
SMILES[H]/N=C(/C/C(=C/C(C)=O)NC(C)C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)17-14(9-12(3)18)10-15(16)13-7-5-4-6-8-13/h4-9,11,16-17H,10H2,1-3H3/b14-9-,16-15-
InChIKeyIRDIBQUEYWGMFI-JWUKZIGWSA-N
XLogP2.92
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-N-[(Z)-1-(3-methoxyphenyl)-5-oxo-5-phenyl-3-(propan-2-ylamino)pent-3-enylidene]benzenecarboximidamide
CID 11754696
2-chloro-1-phenylethanimine
CID 13240605
(4-imino-4-phenylbutan-2-yl) formate
CID 174425924
4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
(Z)-6-(nitromethyl)-8-phenyl-4-(propan-2-ylamino)oct-3-en-2-one
CID 134985612
4-phenylpent-3-en-2-one
CID 594380
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
2-nitro-1-phenylethanimine
CID 54520017
ethane;4-phenylpent-3-en-2-one
CID 123324566
CID 68891597
CID 68891597
2-pent-4-en-2-yloxy-1-phenylethanimine
CID 155301968

Frequently Asked Questions

What is the IUPAC name of (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one?
The IUPAC name of (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one (CID 10444787) is (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one.
What is the SMILES notation for (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one?
The canonical SMILES for (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one is [H]/N=C(/C/C(=C/C(C)=O)NC(C)C)c1ccccc1.
What is the InChIKey of (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one?
The InChIKey is IRDIBQUEYWGMFI-JWUKZIGWSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)17-14(9-12(3)18)10-15(16)13-7-5-4-6-8-13/h4-9,11,16-17H,10H2,1-3H3/b14-9-,16-15-.
What are the key properties of (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one?
(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one is sourced from PubChem (CID 10444787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).