(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone

C14H15NO — CID 14612003

IUPAC(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESCCc1cc(C)c(C(=O)c2ccccc2)[nH]1
InChIInChI=1S/C14H15NO/c1-3-12-9-10(2)13(15-12)14(16)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3
InChIKeyISZAMACEYMNTNG-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.12
Rot. Bonds3

About (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone

(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone (PubChem CID 14612003) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
PubChem CID14612003
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESCCc1cc(C)c(C(=O)c2ccccc2)[nH]1
InChIInChI=1S/C14H15NO/c1-3-12-9-10(2)13(15-12)14(16)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3
InChIKeyISZAMACEYMNTNG-UHFFFAOYSA-N
XLogP3.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
CID 67610930
[5-[[5-[(5-benzoyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]-phenylmethanone
CID 18914948
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
CID 134938636
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(4-chlorophenyl)-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 122368732
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
N-[4-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3,5-difluorophenyl]-2-hydroxyethanesulfonamide
CID 23285721
4-(4-benzoylpiperazine-1-carbonyl)-6-ethyl-1H-pyridin-2-one
CID 146131241
2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
CID 159751274
diphenylmethanone;propan-1-amine
CID 174497329

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone?
The IUPAC name of (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone (CID 14612003) is (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone is CCc1cc(C)c(C(=O)c2ccccc2)[nH]1.
What is the InChIKey of (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone?
The InChIKey is ISZAMACEYMNTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-12-9-10(2)13(15-12)14(16)11-7-5-4-6-8-11/h4-9,15H,3H2,1-2H3.
What are the key properties of (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone?
(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone has a molecular weight of 213.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 14612003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).