(4-butylphenyl)-pyrrolidin-1-ylmethanone

C15H21NO — CID 60674990

IUPAC(4-butylphenyl)-pyrrolidin-1-ylmethanone
SMILESCCCCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-3-6-13-7-9-14(10-8-13)15(17)16-11-4-5-12-16/h7-10H,2-6,11-12H2,1H3
InChIKeyMGCWRHHIVAOAME-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds4

About (4-butylphenyl)-pyrrolidin-1-ylmethanone

(4-butylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 60674990) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4-butylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-butylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID60674990
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4-butylphenyl)-pyrrolidin-1-ylmethanone
SMILESCCCCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-3-6-13-7-9-14(10-8-13)15(17)16-11-4-5-12-16/h7-10H,2-6,11-12H2,1H3
InChIKeyMGCWRHHIVAOAME-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
4-(4-butylbenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813413
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251
(4-butylphenyl)-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]methanone
CID 134713853
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 90987266
[3-amino-4-(4-butylanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100635993
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447
[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42881294
[4-[(3-butyl-4,5,6,7-tetrahydroindazol-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 58267614
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-butylphenyl)-pyrrolidin-1-ylmethanone (CID 60674990) is (4-butylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-butylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-butylphenyl)-pyrrolidin-1-ylmethanone is CCCCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-butylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is MGCWRHHIVAOAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-6-13-7-9-14(10-8-13)15(17)16-11-4-5-12-16/h7-10H,2-6,11-12H2,1H3.
What are the key properties of (4-butylphenyl)-pyrrolidin-1-ylmethanone?
(4-butylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 231.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 60674990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).