2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C12H18N2O2 — CID 110768911

IUPAC2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ccc(CC(=O)NCC2CCCO2)c1
InChIInChI=1S/C12H18N2O2/c1-14-5-4-10(9-14)7-12(15)13-8-11-3-2-6-16-11/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyKHXGLUWWEVXJCK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.86
Rot. Bonds4

About 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110768911) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110768911
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ccc(CC(=O)NCC2CCCO2)c1
InChIInChI=1S/C12H18N2O2/c1-14-5-4-10(9-14)7-12(15)13-8-11-3-2-6-16-11/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyKHXGLUWWEVXJCK-UHFFFAOYSA-N
XLogP0.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 110768911) is 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cn1ccc(CC(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KHXGLUWWEVXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-5-4-10(9-14)7-12(15)13-8-11-3-2-6-16-11/h4-5,9,11H,2-3,6-8H2,1H3,(H,13,15).
What are the key properties of 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110768911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).