1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile

C14H14N2 — CID 116842313

IUPAC1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCC1(C)CC1(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2/c1-13(2)8-14(13,9-15)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,8H2,1-2H3
InChIKeyOCTBGKDVNWWQMJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.36
Rot. Bonds1

About 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile

1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile (PubChem CID 116842313) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
PubChem CID116842313
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCC1(C)CC1(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2/c1-13(2)8-14(13,9-15)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,8H2,1-2H3
InChIKeyOCTBGKDVNWWQMJ-UHFFFAOYSA-N
XLogP3.36
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile 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

[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 164664078
3-methylperoxy-1H-indole
CID 21122990
4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859408
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
3-propan-2-yl-1H-indole
CID 12534824
3-(1H-indole-3-carbonyl)oxetane-3-carbonitrile
CID 116922272
(2,2-dichloro-1-methylcyclopropyl)-(1H-indol-3-yl)methanone
CID 44626731
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile (CID 116842313) is 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile is CC1(C)CC1(C#N)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile?
The InChIKey is OCTBGKDVNWWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-13(2)8-14(13,9-15)11-7-16-12-6-4-3-5-10(11)12/h3-7,16H,8H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile?
1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).