2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide

C12H18N2O2 — CID 79106832

IUPAC2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)c1ccn(CC(=O)NCC(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)6-13-12(16)8-14-5-4-11(7-14)10(3)15/h4-5,7,9H,6,8H2,1-3H3,(H,13,16)
InChIKeyGYYPMLBDNJDFSJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide

2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 79106832) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID79106832
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(=O)c1ccn(CC(=O)NCC(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)6-13-12(16)8-14-5-4-11(7-14)10(3)15/h4-5,7,9H,6,8H2,1-3H3,(H,13,16)
InChIKeyGYYPMLBDNJDFSJ-UHFFFAOYSA-N
XLogP1.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
1-[1-(3-methylbutyl)pyrrol-3-yl]ethanone
CID 79106201
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
2-(3-acetylpyrrol-1-yl)-N-(4-bromophenyl)acetamide
CID 79107153
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82901827
1-(1-propylpyrrol-3-yl)ethanone
CID 15439782
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 79106315
1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrole-3-carboxylic acid
CID 79103265
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
CID 63926258

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide (CID 79106832) is 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide is CC(=O)c1ccn(CC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is GYYPMLBDNJDFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)6-13-12(16)8-14-5-4-11(7-14)10(3)15/h4-5,7,9H,6,8H2,1-3H3,(H,13,16).
What are the key properties of 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide?
2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyrrol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).