1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one

C18H24N2O — CID 113088420

IUPAC1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2cc3ccccc3n2C)C1
InChIInChI=1S/C18H24N2O/c1-3-4-9-18(21)20-11-10-15(13-20)17-12-14-7-5-6-8-16(14)19(17)2/h5-8,12,15H,3-4,9-11,13H2,1-2H3
InChIKeyGCPMKBOSNAKYFF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one

1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 113088420) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
PubChem CID113088420
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2cc3ccccc3n2C)C1
InChIInChI=1S/C18H24N2O/c1-3-4-9-18(21)20-11-10-15(13-20)17-12-14-7-5-6-8-16(14)19(17)2/h5-8,12,15H,3-4,9-11,13H2,1-2H3
InChIKeyGCPMKBOSNAKYFF-UHFFFAOYSA-N
XLogP3.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one (CID 113088420) is 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(c2cc3ccccc3n2C)C1.
What is the InChIKey of 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is GCPMKBOSNAKYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-9-18(21)20-11-10-15(13-20)17-12-14-7-5-6-8-16(14)19(17)2/h5-8,12,15H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one?
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 113088420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).