3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile

C15H17N3 — CID 10263646

IUPAC3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile
SMILESCNC1CCC(c2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C15H17N3/c1-17-12-4-3-11(7-12)14-9-18-15-5-2-10(8-16)6-13(14)15/h2,5-6,9,11-12,17-18H,3-4,7H2,1H3
InChIKeyOWJCWMVVFCUPBX-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.90
Rot. Bonds2

About 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile

3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile (PubChem CID 10263646) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile
PubChem CID10263646
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile
SMILESCNC1CCC(c2c[nH]c3ccc(C#N)cc23)C1
InChIInChI=1S/C15H17N3/c1-17-12-4-3-11(7-12)14-9-18-15-5-2-10(8-16)6-13(14)15/h2,5-6,9,11-12,17-18H,3-4,7H2,1H3
InChIKeyOWJCWMVVFCUPBX-UHFFFAOYSA-N
XLogP2.90
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile (CID 10263646) is 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile is CNC1CCC(c2c[nH]c3ccc(C#N)cc23)C1.
What is the InChIKey of 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile?
The InChIKey is OWJCWMVVFCUPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-17-12-4-3-11(7-12)14-9-18-15-5-2-10(8-16)6-13(14)15/h2,5-6,9,11-12,17-18H,3-4,7H2,1H3.
What are the key properties of 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile?
3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)cyclopentyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10263646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).