9-phenylnon-2-enamide

C15H21NO — CID 123957146

IUPAC9-phenylnon-2-enamide
SMILESNC(=O)C=CCCCCCCc1ccccc1
InChIInChI=1S/C15H21NO/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-9,11-13H,1-4,6,10H2,(H2,16,17)
InChIKeySJXUPCUYQCSMPP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.22
Rot. Bonds8

About 9-phenylnon-2-enamide

9-phenylnon-2-enamide (PubChem CID 123957146) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 9-phenylnon-2-enamide.

Molecular Properties

Compound Name9-phenylnon-2-enamide
PubChem CID123957146
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name9-phenylnon-2-enamide
SMILESNC(=O)C=CCCCCCCc1ccccc1
InChIInChI=1S/C15H21NO/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-9,11-13H,1-4,6,10H2,(H2,16,17)
InChIKeySJXUPCUYQCSMPP-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-phenyl-1-pyrrol-1-ylhept-2-en-1-one
CID 102332503
ethyl (E)-9-phenylnon-2-enoate
CID 10753852
(E)-N-methyl-11-phenylundec-2-enamide
CID 118028584
(E)-9-phenyl-1-piperidin-1-ylnon-2-en-1-one
CID 171345519
11-phenylundec-1-ene-1-sulfonic acid
CID 54264801
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
CID 141109244
N-(8-phenyloct-2-enyl)acetamide
CID 123336500
N,N-dimethyl-10-phenyldeca-2,4-dienamide
CID 123909046
(E)-1-(3,4-dimethoxyphenyl)-9-phenylnon-2-en-1-one
CID 10618001
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
CID 67655950
(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one
CID 10734633
hept-6-enylbenzene
CID 15608161

Frequently Asked Questions

What is the IUPAC name of 9-phenylnon-2-enamide?
The IUPAC name of 9-phenylnon-2-enamide (CID 123957146) is 9-phenylnon-2-enamide.
What is the SMILES notation for 9-phenylnon-2-enamide?
The canonical SMILES for 9-phenylnon-2-enamide is NC(=O)C=CCCCCCCc1ccccc1.
What is the InChIKey of 9-phenylnon-2-enamide?
The InChIKey is SJXUPCUYQCSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-9,11-13H,1-4,6,10H2,(H2,16,17).
What are the key properties of 9-phenylnon-2-enamide?
9-phenylnon-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylnon-2-enamide is sourced from PubChem (CID 123957146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).