N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide

C11H16N4O2 — CID 81256957

IUPACN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)n1ccnc1
InChIInChI=1S/C11H16N4O2/c1-9(7-14-5-2-3-10(14)16)13-11(17)15-6-4-12-8-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,17)
InChIKeyMLFQCHCLPQYYRR-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.45
Rot. Bonds3

About N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide

N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide (PubChem CID 81256957) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
PubChem CID81256957
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide
SMILESCC(CN1CCCC1=O)NC(=O)n1ccnc1
InChIInChI=1S/C11H16N4O2/c1-9(7-14-5-2-3-10(14)16)13-11(17)15-6-4-12-8-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,17)
InChIKeyMLFQCHCLPQYYRR-UHFFFAOYSA-N
XLogP0.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-(1-piperidin-1-ylpropan-2-yl)imidazole-1-carboxamide
CID 54965407
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889
(2R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 95765376
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 51079775
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 61102795
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1-(imidazole-1-carbonyl)pyrrolidin-2-one
CID 19387298
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
2-(cyclopropylamino)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 54863219
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide (CID 81256957) is N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide is CC(CN1CCCC1=O)NC(=O)n1ccnc1.
What is the InChIKey of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide?
The InChIKey is MLFQCHCLPQYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(7-14-5-2-3-10(14)16)13-11(17)15-6-4-12-8-15/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,17).
What are the key properties of N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide?
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 81256957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).