(E)-9-amino-1-phenylnon-1-en-3-one

C15H21NO — CID 140555712

IUPAC(E)-9-amino-1-phenylnon-1-en-3-one
SMILESNCCCCCCC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c16-13-7-2-1-6-10-15(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12H,1-2,6-7,10,13,16H2/b12-11+
InChIKeyKATMBMQYKGHQBK-VAWYXSNFSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds8

About (E)-9-amino-1-phenylnon-1-en-3-one

(E)-9-amino-1-phenylnon-1-en-3-one (PubChem CID 140555712) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-9-amino-1-phenylnon-1-en-3-one.

Molecular Properties

Compound Name(E)-9-amino-1-phenylnon-1-en-3-one
PubChem CID140555712
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-9-amino-1-phenylnon-1-en-3-one
SMILESNCCCCCCC(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c16-13-7-2-1-6-10-15(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12H,1-2,6-7,10,13,16H2/b12-11+
InChIKeyKATMBMQYKGHQBK-VAWYXSNFSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-9-amino-1-phenylnon-1-en-3-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

2,8-dioxo-10-phenyldec-9-enoic acid
CID 166068161
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
(E)-N-(6-aminohexyl)-3-phenyl-N-[(E)-3-phenylprop-2-enoyl]prop-2-enamide
CID 141367752
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
2-methylidene-6-oxo-8-phenyloct-7-enoic acid
CID 54019623
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
trimethyl-(4-oxo-6-phenylhex-5-enyl)azanium chloride
CID 169084035
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044

Frequently Asked Questions

What is the IUPAC name of (E)-9-amino-1-phenylnon-1-en-3-one?
The IUPAC name of (E)-9-amino-1-phenylnon-1-en-3-one (CID 140555712) is (E)-9-amino-1-phenylnon-1-en-3-one.
What is the SMILES notation for (E)-9-amino-1-phenylnon-1-en-3-one?
The canonical SMILES for (E)-9-amino-1-phenylnon-1-en-3-one is NCCCCCCC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-9-amino-1-phenylnon-1-en-3-one?
The InChIKey is KATMBMQYKGHQBK-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H21NO/c16-13-7-2-1-6-10-15(17)12-11-14-8-4-3-5-9-14/h3-5,8-9,11-12H,1-2,6-7,10,13,16H2/b12-11+.
What are the key properties of (E)-9-amino-1-phenylnon-1-en-3-one?
(E)-9-amino-1-phenylnon-1-en-3-one has a molecular weight of 231.34 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-amino-1-phenylnon-1-en-3-one is sourced from PubChem (CID 140555712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).