1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide

C15H17NO — CID 3502892

IUPAC1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
SMILESC#CCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H17NO/c1-2-12-16-14(17)15(10-6-7-11-15)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2,(H,16,17)
InChIKeyZNXPESVQYMWMDS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.25
Rot. Bonds3

About 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide

1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide (PubChem CID 3502892) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
PubChem CID3502892
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
SMILESC#CCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H17NO/c1-2-12-16-14(17)15(10-6-7-11-15)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2,(H,16,17)
InChIKeyZNXPESVQYMWMDS-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
CID 47088064
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide (CID 3502892) is 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide is C#CCNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The InChIKey is ZNXPESVQYMWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-12-16-14(17)15(10-6-7-11-15)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2,(H,16,17).
What are the key properties of 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide?
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide is sourced from PubChem (CID 3502892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).