[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone

C15H17NO — CID 15112386

IUPAC[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone
SMILESCC(C)Cn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-12(2)10-16-9-8-14(11-16)15(17)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyQFBBLSDCIYFACS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.38
Rot. Bonds4

About [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone

[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone (PubChem CID 15112386) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone
PubChem CID15112386
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone
SMILESCC(C)Cn1ccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H17NO/c1-12(2)10-16-9-8-14(11-16)15(17)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyQFBBLSDCIYFACS-UHFFFAOYSA-N
XLogP3.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
Xlr 11
CID 57501498
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
4-Benzoylpyridine
CID 26731
Jwh 307
CID 16049783
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
Phenyl-3-pyridinylmethanone
CID 21540
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
Jwh-368
CID 44418331

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone?
The IUPAC name of [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone (CID 15112386) is [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone is CC(C)Cn1ccc(C(=O)c2ccccc2)c1.
What is the InChIKey of [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone?
The InChIKey is QFBBLSDCIYFACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(2)10-16-9-8-14(11-16)15(17)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone?
[1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone has a molecular weight of 227.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)pyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 15112386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).