(2-ethylpyrrolidin-2-yl)-phenylmethanone

C13H17NO — CID 116608161

IUPAC(2-ethylpyrrolidin-2-yl)-phenylmethanone
SMILESCCC1(C(=O)c2ccccc2)CCCN1
InChIInChI=1S/C13H17NO/c1-2-13(9-6-10-14-13)12(15)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3
InChIKeyZQXGDEXZVDHGPA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.40
Rot. Bonds3

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

(2-ethylpyrrolidin-2-yl)-phenylmethanone (PubChem CID 116608161) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-phenylmethanone
PubChem CID116608161
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2-ethylpyrrolidin-2-yl)-phenylmethanone
SMILESCCC1(C(=O)c2ccccc2)CCCN1
InChIInChI=1S/C13H17NO/c1-2-13(9-6-10-14-13)12(15)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3
InChIKeyZQXGDEXZVDHGPA-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
2-benzoylpyrrolidine-2-carboxylic acid
CID 70416090

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-phenylmethanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-phenylmethanone (CID 116608161) is (2-ethylpyrrolidin-2-yl)-phenylmethanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-phenylmethanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-phenylmethanone is CCC1(C(=O)c2ccccc2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-phenylmethanone?
The InChIKey is ZQXGDEXZVDHGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-13(9-6-10-14-13)12(15)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-phenylmethanone?
(2-ethylpyrrolidin-2-yl)-phenylmethanone has a molecular weight of 203.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-phenylmethanone is sourced from PubChem (CID 116608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).