(3-ethylpyrrol-1-yl)-phenylmethanone

C13H13NO — CID 15892540

IUPAC(3-ethylpyrrol-1-yl)-phenylmethanone
SMILESCCc1ccn(C(=O)c2ccccc2)c1
InChIInChI=1S/C13H13NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyJMFGSNTWNSKEQQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.74
Rot. Bonds2

About (3-ethylpyrrol-1-yl)-phenylmethanone

(3-ethylpyrrol-1-yl)-phenylmethanone (PubChem CID 15892540) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (3-ethylpyrrol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-ethylpyrrol-1-yl)-phenylmethanone
PubChem CID15892540
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(3-ethylpyrrol-1-yl)-phenylmethanone
SMILESCCc1ccn(C(=O)c2ccccc2)c1
InChIInChI=1S/C13H13NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyJMFGSNTWNSKEQQ-UHFFFAOYSA-N
XLogP2.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-phenylpyrrole
CID 21279644
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benzoic acid;ethylbenzene;formic acid
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(3,4-diethylpyrrol-1-yl)-(4-methylphenyl)methanone
CID 16664938
[(2R,6S)-4-(4-ethylphenyl)-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 129268177
phenyl-(2-propylpyrrol-1-yl)methanone
CID 174664975
acetic acid;ethane;ethylbenzene;methane
CID 159768897
[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
CID 155538054
ethylbenzene;1-phenylprop-2-en-1-one
CID 174476898
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrol-1-yl)-phenylmethanone?
The IUPAC name of (3-ethylpyrrol-1-yl)-phenylmethanone (CID 15892540) is (3-ethylpyrrol-1-yl)-phenylmethanone.
What is the SMILES notation for (3-ethylpyrrol-1-yl)-phenylmethanone?
The canonical SMILES for (3-ethylpyrrol-1-yl)-phenylmethanone is CCc1ccn(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-ethylpyrrol-1-yl)-phenylmethanone?
The InChIKey is JMFGSNTWNSKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of (3-ethylpyrrol-1-yl)-phenylmethanone?
(3-ethylpyrrol-1-yl)-phenylmethanone has a molecular weight of 199.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrol-1-yl)-phenylmethanone is sourced from PubChem (CID 15892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).