1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one

C11H15NO — CID 91090923

IUPAC1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccn1C1CC1
InChIInChI=1S/C11H15NO/c1-8(2)11(13)10-4-3-7-12(10)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYUVIWYOSVPRHMB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one

1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one (PubChem CID 91090923) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
PubChem CID91090923
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cccn1C1CC1
InChIInChI=1S/C11H15NO/c1-8(2)11(13)10-4-3-7-12(10)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYUVIWYOSVPRHMB-UHFFFAOYSA-N
XLogP2.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103542
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 110008236
1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
CID 115970025

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one (CID 91090923) is 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cccn1C1CC1.
What is the InChIKey of 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one?
The InChIKey is YUVIWYOSVPRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)11(13)10-4-3-7-12(10)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one?
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 91090923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).