(1-ethylpyrrol-2-yl)-phenylmethanone

C13H13NO — CID 23048985

IUPAC(1-ethylpyrrol-2-yl)-phenylmethanone
SMILESCCn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-2-14-10-6-9-12(14)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyKRASNTVKAKGVPD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.74
Rot. Bonds3

About (1-ethylpyrrol-2-yl)-phenylmethanone

(1-ethylpyrrol-2-yl)-phenylmethanone (PubChem CID 23048985) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (1-ethylpyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-ethylpyrrol-2-yl)-phenylmethanone
PubChem CID23048985
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(1-ethylpyrrol-2-yl)-phenylmethanone
SMILESCCn1cccc1C(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-2-14-10-6-9-12(14)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyKRASNTVKAKGVPD-UHFFFAOYSA-N
XLogP2.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

dimethyl 2-[2-(2-benzoylpyrrol-1-yl)ethyl]propanedioate
CID 19914035
1-ethyl-N-methylidenepyrrole-2-carboxamide
CID 155055913
(Z)-4-(1-ethylpyrrol-2-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 45094938
5-[2-(2-benzoylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10914795
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 71083233
2-[2-(4-propan-2-ylbenzoyl)pyrrol-1-yl]acetic acid
CID 53212678
(4-ethylphenyl)-(1-prop-2-enylpyrrol-2-yl)methanone
CID 23117004
2-(2-benzoylpyrrol-1-yl)ethyl 2-methylbenzenesulfonate
CID 57016083
1-phenacylpyrrole-2-carboxylic acid
CID 58406327
2-[(4-ethenylphenyl)methoxy]propanoic acid;(1-ethylpyrrol-2-yl)-(4-methylphenyl)methanone
CID 142995366
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
2-[2-(3-fluorobenzoyl)pyrrol-1-yl]acetic acid
CID 53212675

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrrol-2-yl)-phenylmethanone?
The IUPAC name of (1-ethylpyrrol-2-yl)-phenylmethanone (CID 23048985) is (1-ethylpyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (1-ethylpyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (1-ethylpyrrol-2-yl)-phenylmethanone is CCn1cccc1C(=O)c1ccccc1.
What is the InChIKey of (1-ethylpyrrol-2-yl)-phenylmethanone?
The InChIKey is KRASNTVKAKGVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-14-10-6-9-12(14)13(15)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of (1-ethylpyrrol-2-yl)-phenylmethanone?
(1-ethylpyrrol-2-yl)-phenylmethanone has a molecular weight of 199.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 23048985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).