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

C15H21NO — CID 106976718

IUPAC(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2ccc(C)cc2)CCCN1
InChIInChI=1S/C15H21NO/c1-3-9-15(10-4-11-16-15)14(17)13-7-5-12(2)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyMQRYKKVGDTZFGH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds4

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

(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976718) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976718
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)c2ccc(C)cc2)CCCN1
InChIInChI=1S/C15H21NO/c1-3-9-15(10-4-11-16-15)14(17)13-7-5-12(2)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyMQRYKKVGDTZFGH-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
(2-ethylpyrrolidin-2-yl)-(4-propoxyphenyl)methanone
CID 116608174
cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106976907
(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone
CID 142700643
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone (CID 106976718) is (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)c2ccc(C)cc2)CCCN1.
What is the InChIKey of (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is MQRYKKVGDTZFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-9-15(10-4-11-16-15)14(17)13-7-5-12(2)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone?
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).