(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

C15H21NO — CID 58290282

IUPAC(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)cccc1C(C)C
InChIInChI=1S/C15H21NO/c1-11(2)13-7-6-8-14(12(13)3)15(17)16-9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyMJCYFLQVNOQHEP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.35
Rot. Bonds2

About (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 58290282) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID58290282
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCC2)cccc1C(C)C
InChIInChI=1S/C15H21NO/c1-11(2)13-7-6-8-14(12(13)3)15(17)16-9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyMJCYFLQVNOQHEP-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 28749270
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone
CID 130616512
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 46579613

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (CID 58290282) is (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is Cc1c(C(=O)N2CCCC2)cccc1C(C)C.
What is the InChIKey of (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is MJCYFLQVNOQHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)13-7-6-8-14(12(13)3)15(17)16-9-4-5-10-16/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 231.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58290282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).