[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone

C15H21NO — CID 64868969

IUPAC[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)C2CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-11(2)10-12-5-7-13(8-6-12)15(17)14-4-3-9-16-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeySMAMRRKAGDYOTN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone

[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone (PubChem CID 64868969) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
PubChem CID64868969
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)C2CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-11(2)10-12-5-7-13(8-6-12)15(17)14-4-3-9-16-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeySMAMRRKAGDYOTN-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119734575
(4-hexylphenyl)-piperidin-2-ylmethanone
CID 82341686
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82550245
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
phenyl-[(2S)-pyrrolidin-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 21080202

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone (CID 64868969) is [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone is CC(C)Cc1ccc(C(=O)C2CCCN2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone?
The InChIKey is SMAMRRKAGDYOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)10-12-5-7-13(8-6-12)15(17)14-4-3-9-16-14/h5-8,11,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone?
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone has a molecular weight of 231.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 64868969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).