1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide

C18H16N2O2 — CID 51177829

IUPAC1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C18H16N2O2/c1-2-10-19-18(22)14-11-17(21)20(12-14)16-9-5-7-13-6-3-4-8-15(13)16/h1,3-9,14H,10-12H2,(H,19,22)
InChIKeyHEMZEOZUSMZZLA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.94
Rot. Bonds3

About 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide

1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide (PubChem CID 51177829) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
PubChem CID51177829
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
SMILESC#CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C18H16N2O2/c1-2-10-19-18(22)14-11-17(21)20(12-14)16-9-5-7-13-6-3-4-8-15(13)16/h1,3-9,14H,10-12H2,(H,19,22)
InChIKeyHEMZEOZUSMZZLA-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 40847514
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119510489
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
1-naphthalen-1-yl-5-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46516740
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 71850076

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide (CID 51177829) is 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide is C#CCNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide?
The InChIKey is HEMZEOZUSMZZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-10-19-18(22)14-11-17(21)20(12-14)16-9-5-7-13-6-3-4-8-15(13)16/h1,3-9,14H,10-12H2,(H,19,22).
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide?
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide is sourced from PubChem (CID 51177829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).