N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide

C15H16N2O2 — CID 21291420

IUPACN-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN1C(=O)CCC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-10-17-13(8-9-14(17)18)15(19)16-11-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2,(H,16,19)
InChIKeyZCIGMOACZIUVAC-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.93
Rot. Bonds4

About N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide

N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide (PubChem CID 21291420) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
PubChem CID21291420
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide
SMILESC#CCN1C(=O)CCC1C(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-2-10-17-13(8-9-14(17)18)15(19)16-11-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2,(H,16,19)
InChIKeyZCIGMOACZIUVAC-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.93
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

(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
N-benzylcyclobutanecarboxamide
CID 730128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide (CID 21291420) is N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide is C#CCN1C(=O)CCC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide?
The InChIKey is ZCIGMOACZIUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-10-17-13(8-9-14(17)18)15(19)16-11-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2,(H,16,19).
What are the key properties of N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide?
N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-1-prop-2-ynylpyrrolidine-2-carboxamide is sourced from PubChem (CID 21291420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).