(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride

C12H17ClN2O — CID 19070463

IUPAC(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride
SMILESCl.NC(=O)/C=C(\N)CCCc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,13H2,(H2,14,15);1H/b11-9-;
InChIKeyRKPSYSGCPZSXPG-KSIDEHCFSA-N
MW240.73 g/mol
LogP1.76
Rot. Bonds5

About (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride

(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride (PubChem CID 19070463) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride
PubChem CID19070463
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride
SMILESCl.NC(=O)/C=C(\N)CCCc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,13H2,(H2,14,15);1H/b11-9-;
InChIKeyRKPSYSGCPZSXPG-KSIDEHCFSA-N
XLogP1.76
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride 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

2-amino-5-phenylpent-1-en-1-one;hydrate
CID 176533871
benzyl 4-phenylbutanoate
CID 11961623
5-phenylpentan-2-one
CID 16701
4-phenylbutanoyl chloride
CID 11789865
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
3-phenylpropylurea;hydrochloride
CID 174579396
8-amino-1-phenyloctan-4-one
CID 116571907
9-phenylnon-2-enamide
CID 123957146
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
CID 141109244
1,9-diphenylnonan-5-one
CID 23467830
carbonic acid;3-phenylpropanamide
CID 174965682

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride?
The IUPAC name of (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride (CID 19070463) is (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride?
The canonical SMILES for (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride is Cl.NC(=O)/C=C(\N)CCCc1ccccc1.
What is the InChIKey of (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride?
The InChIKey is RKPSYSGCPZSXPG-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c13-11(9-12(14)15)8-4-7-10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8,13H2,(H2,14,15);1H/b11-9-;.
What are the key properties of (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride?
(Z)-3-amino-6-phenylhex-2-enamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-6-phenylhex-2-enamide;hydrochloride is sourced from PubChem (CID 19070463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).