3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide

C9H16N2O2 — CID 102779731

IUPAC3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1COC1
InChIInChI=1S/C9H16N2O2/c1-6-2-3-10-8(6)9(12)11-7-4-13-5-7/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyKDBLUSQCXUKNNA-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.50
Rot. Bonds2

About 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide

3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 102779731) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
PubChem CID102779731
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1COC1
InChIInChI=1S/C9H16N2O2/c1-6-2-3-10-8(6)9(12)11-7-4-13-5-7/h6-8,10H,2-5H2,1H3,(H,11,12)
InChIKeyKDBLUSQCXUKNNA-UHFFFAOYSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(3,5-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxamide
CID 102779573
3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
CID 102780062
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
3-methyl-N-(2-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 102779917
N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778405
3-methyl-N-(6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 102779455
N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779942
N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779102
3-methyl-N-morpholin-4-ylpyrrolidine-2-carboxamide
CID 102779940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide (CID 102779731) is 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1COC1.
What is the InChIKey of 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is KDBLUSQCXUKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-2-3-10-8(6)9(12)11-7-4-13-5-7/h6-8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).