(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone

C14H19NO — CID 116570011

IUPAC(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCc1cccc(C(=O)C2(C)CCNC2)c1
InChIInChI=1S/C14H19NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3
InChIKeyOBHSVSWGPJVKST-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.43
Rot. Bonds3

About (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone

(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116570011) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116570011
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCc1cccc(C(=O)C2(C)CCNC2)c1
InChIInChI=1S/C14H19NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3
InChIKeyOBHSVSWGPJVKST-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3-ethylpyrrolidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116570462
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
furan-2-yl-(3-methylpyrrolidin-3-yl)methanone
CID 116570107
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116570011) is (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone is CCc1cccc(C(=O)C2(C)CCNC2)c1.
What is the InChIKey of (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is OBHSVSWGPJVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h4-6,9,15H,3,7-8,10H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone?
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).