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

C14H16N2 — CID 10330820

IUPAC1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
SMILESCN1c2ccccc2C2(CCCC2)C1C#N
InChIInChI=1S/C14H16N2/c1-16-12-7-3-2-6-11(12)14(13(16)10-15)8-4-5-9-14/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyBYJQMVFUJZIPQN-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.84
Rot. Bonds

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

1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile (PubChem CID 10330820) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile.

Molecular Properties

Compound Name1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
PubChem CID10330820
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
SMILESCN1c2ccccc2C2(CCCC2)C1C#N
InChIInChI=1S/C14H16N2/c1-16-12-7-3-2-6-11(12)14(13(16)10-15)8-4-5-9-14/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyBYJQMVFUJZIPQN-UHFFFAOYSA-N
XLogP2.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile?
The IUPAC name of 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile (CID 10330820) is 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile.
What is the SMILES notation for 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile?
The canonical SMILES for 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile is CN1c2ccccc2C2(CCCC2)C1C#N.
What is the InChIKey of 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile?
The InChIKey is BYJQMVFUJZIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16-12-7-3-2-6-11(12)14(13(16)10-15)8-4-5-9-14/h2-3,6-7,13H,4-5,8-9H2,1H3.
What are the key properties of 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile?
1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile is sourced from PubChem (CID 10330820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).