2'-methylspiro[cyclopentane-1,3'-indole]

C13H15N — CID 556125

IUPAC2'-methylspiro[cyclopentane-1,3'-indole]
SMILESCC1=Nc2ccccc2C12CCCC2
InChIInChI=1S/C13H15N/c1-10-13(8-4-5-9-13)11-6-2-3-7-12(11)14-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyAYKQOEYKUZBLTL-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.60
Rot. Bonds

About 2'-methylspiro[cyclopentane-1,3'-indole]

2'-methylspiro[cyclopentane-1,3'-indole] (PubChem CID 556125) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2'-methylspiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Name2'-methylspiro[cyclopentane-1,3'-indole]
PubChem CID556125
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2'-methylspiro[cyclopentane-1,3'-indole]
SMILESCC1=Nc2ccccc2C12CCCC2
InChIInChI=1S/C13H15N/c1-10-13(8-4-5-9-13)11-6-2-3-7-12(11)14-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyAYKQOEYKUZBLTL-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-methylspiro[cyclopentane-1,3'-indole] 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

3H-Indole, 2,3,3-trimethyl-
CID 15427
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
CID 79454
2-Isopropylphenyl isothiocyanate
CID 142052
2,3,3-Trimethyl-3H-indol-5-amine
CID 594548
1-Ethyl-2,3,3-trimethyl-3H-indolium Iodide
CID 9995814
2,3,3-Trimethyl-1-propyl-3H-indolium iodide
CID 16217113
3H-Indole, 2,3,3,5-tetramethyl-
CID 117693
3H-Indole, 3,3-dimethyl-2-phenyl-
CID 138796
2-tert-Butylphenyl isocyanate
CID 2735694
4A-Methyl-2,3,4,4A-tetrahydro-1H-carbazole
CID 3292772
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
3H-Indole, 5-chloro-2,3,3-trimethyl-
CID 117694

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[cyclopentane-1,3'-indole]?
The IUPAC name of 2'-methylspiro[cyclopentane-1,3'-indole] (CID 556125) is 2'-methylspiro[cyclopentane-1,3'-indole].
What is the SMILES notation for 2'-methylspiro[cyclopentane-1,3'-indole]?
The canonical SMILES for 2'-methylspiro[cyclopentane-1,3'-indole] is CC1=Nc2ccccc2C12CCCC2.
What is the InChIKey of 2'-methylspiro[cyclopentane-1,3'-indole]?
The InChIKey is AYKQOEYKUZBLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-13(8-4-5-9-13)11-6-2-3-7-12(11)14-10/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 2'-methylspiro[cyclopentane-1,3'-indole]?
2'-methylspiro[cyclopentane-1,3'-indole] has a molecular weight of 185.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).