(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone

C9H12N2O2 — CID 130736223

IUPAC(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCc1cc[nH]c1C(=O)N1CCCO1
InChIInChI=1S/C9H12N2O2/c1-7-3-4-10-8(7)9(12)11-5-2-6-13-11/h3-4,10H,2,5-6H2,1H3
InChIKeyUKLJRFZCKGKXOT-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.10
Rot. Bonds1

About (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone

(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 130736223) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID130736223
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCc1cc[nH]c1C(=O)N1CCCO1
InChIInChI=1S/C9H12N2O2/c1-7-3-4-10-8(7)9(12)11-5-2-6-13-11/h3-4,10H,2,5-6H2,1H3
InChIKeyUKLJRFZCKGKXOT-UHFFFAOYSA-N
XLogP1.10
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486187
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486185
[(6R)-2,2-dimethyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129348560
1H-indol-3-yl(oxazinan-2-yl)methanone
CID 113375881
(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
CID 104671096
2,2-dimethyl-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one
CID 170135844
(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
CID 131084165
(2-fluoro-6-hydroxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 99585349
(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
CID 86797014
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 113375553
1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone
CID 113375603
3-(2,3-dimethylphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one
CID 113375704

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone (CID 130736223) is (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone is Cc1cc[nH]c1C(=O)N1CCCO1.
What is the InChIKey of (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is UKLJRFZCKGKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-3-4-10-8(7)9(12)11-5-2-6-13-11/h3-4,10H,2,5-6H2,1H3.
What are the key properties of (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
(3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-pyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 130736223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).