(2-ethylpyrrolidin-1-yl)-phenylmethanone

C13H17NO — CID 20577009

IUPAC(2-ethylpyrrolidin-1-yl)-phenylmethanone
SMILESCCC1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyHHJFIJSLIAGVDE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds2

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

(2-ethylpyrrolidin-1-yl)-phenylmethanone (PubChem CID 20577009) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-phenylmethanone
PubChem CID20577009
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2-ethylpyrrolidin-1-yl)-phenylmethanone
SMILESCCC1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyHHJFIJSLIAGVDE-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-phenylmethanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-phenylmethanone (CID 20577009) is (2-ethylpyrrolidin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-phenylmethanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-phenylmethanone is CCC1CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-phenylmethanone?
The InChIKey is HHJFIJSLIAGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12-9-6-10-14(12)13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-phenylmethanone?
(2-ethylpyrrolidin-1-yl)-phenylmethanone has a molecular weight of 203.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-phenylmethanone is sourced from PubChem (CID 20577009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).