2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide

C7H10N2O2 — CID 144743524

IUPAC2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide
SMILESCC1CC(CC(=O)N=O)=CN1
InChIInChI=1S/C7H10N2O2/c1-5-2-6(4-8-5)3-7(10)9-11/h4-5,8H,2-3H2,1H3
InChIKeyMUGNGJASWUTFIT-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.94
Rot. Bonds2

About 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide

2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide (PubChem CID 144743524) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide
PubChem CID144743524
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide
SMILESCC1CC(CC(=O)N=O)=CN1
InChIInChI=1S/C7H10N2O2/c1-5-2-6(4-8-5)3-7(10)9-11/h4-5,8H,2-3H2,1H3
InChIKeyMUGNGJASWUTFIT-UHFFFAOYSA-N
XLogP0.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
4,7-dimethyl-1,4,6,7-tetrahydro-1,3-diazepin-5-one
CID 163441742
(3S,4S,5R)-3,4,5-trimethyl-N-oxocyclohexene-1-carboxamide
CID 88917966
5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one
CID 2751318
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
4-(2-oxopropyl)azetidin-2-one
CID 10887909
ethane;4-methylpentanoic acid;5-methylpyrrolidin-2-one
CID 169191728
N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide
CID 167291658
1-[4-(bromomethyl)-6-methylcyclohexa-1,3-dien-1-yl]ethanone
CID 130445398
1-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)propan-2-one
CID 91073624
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 2-phenylethanethioate
CID 40642590

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide (CID 144743524) is 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide is CC1CC(CC(=O)N=O)=CN1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide?
The InChIKey is MUGNGJASWUTFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-2-6(4-8-5)3-7(10)9-11/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide?
2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide has a molecular weight of 154.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1H-pyrrol-4-yl)-N-oxoacetamide is sourced from PubChem (CID 144743524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).