cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

C18H22N2O — CID 113088482

IUPACcyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)C3CCC3)C2)cc2ccccc21
InChIInChI=1S/C18H22N2O/c1-19-16-8-3-2-5-14(16)11-17(19)15-9-10-20(12-15)18(21)13-6-4-7-13/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3
InChIKeyUCPKHAHNPHNBIP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.29
Rot. Bonds2

About cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113088482) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113088482
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Namecyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)C3CCC3)C2)cc2ccccc21
InChIInChI=1S/C18H22N2O/c1-19-16-8-3-2-5-14(16)11-17(19)15-9-10-20(12-15)18(21)13-6-4-7-13/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3
InChIKeyUCPKHAHNPHNBIP-UHFFFAOYSA-N
XLogP3.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone 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

(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
(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
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (CID 113088482) is cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is Cn1c(C2CCN(C(=O)C3CCC3)C2)cc2ccccc21.
What is the InChIKey of cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UCPKHAHNPHNBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-16-8-3-2-5-14(16)11-17(19)15-9-10-20(12-15)18(21)13-6-4-7-13/h2-3,5,8,11,13,15H,4,6-7,9-10,12H2,1H3.
What are the key properties of cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 282.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).