(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone

C14H19NO — CID 116608082

IUPAC(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
SMILESCCC1(C(=O)c2ccc(C)cc2)CCCN1
InChIInChI=1S/C14H19NO/c1-3-14(9-4-10-15-14)13(16)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyWFXLYGMWLUBRJA-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.71
Rot. Bonds3

About (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone

(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone (PubChem CID 116608082) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
PubChem CID116608082
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
SMILESCCC1(C(=O)c2ccc(C)cc2)CCCN1
InChIInChI=1S/C14H19NO/c1-3-14(9-4-10-15-14)13(16)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyWFXLYGMWLUBRJA-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116608135
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
(2-ethylpyrrolidin-2-yl)-(furan-2-yl)methanone
CID 116608283
(2-ethylpyrrolidin-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 116608155
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608284

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone (CID 116608082) is (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone is CCC1(C(=O)c2ccc(C)cc2)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone?
The InChIKey is WFXLYGMWLUBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(9-4-10-15-14)13(16)12-7-5-11(2)6-8-12/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone?
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.71, 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)-(4-methylphenyl)methanone is sourced from PubChem (CID 116608082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).