2,2,3,3-tetramethylcyclopropane-1-carbonitrile

C8H13N — CID 12833029

IUPAC2,2,3,3-tetramethylcyclopropane-1-carbonitrile
SMILESCC1(C)C(C#N)C1(C)C
InChIInChI=1S/C8H13N/c1-7(2)6(5-9)8(7,3)4/h6H,1-4H3
InChIKeyRKURKRQKAOQDBG-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 2,2,3,3-tetramethylcyclopropane-1-carbonitrile

2,2,3,3-tetramethylcyclopropane-1-carbonitrile (PubChem CID 12833029) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,2,3,3-tetramethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2,3,3-tetramethylcyclopropane-1-carbonitrile
PubChem CID12833029
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,2,3,3-tetramethylcyclopropane-1-carbonitrile
SMILESCC1(C)C(C#N)C1(C)C
InChIInChI=1S/C8H13N/c1-7(2)6(5-9)8(7,3)4/h6H,1-4H3
InChIKeyRKURKRQKAOQDBG-UHFFFAOYSA-N
XLogP2.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,3-tetramethylcyclopropane-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

2,2,3,3-tetrachlorocyclopropane-1-carbonitrile
CID 68540020
3-methyl-3-propan-2-yloxirane-2-carbonitrile
CID 45120377
(2,2,3,3-tetramethylcyclopropyl)cyanamide
CID 79358460
(3S)-3-(2-hydroxyethyl)-2,2,3-trimethylcyclopentane-1-carbonitrile
CID 143972024
trans-(1R,3S)-3-cyano-2,2-dimethylcyclopropane-1-carboxylic acid
CID 89186244
(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 131177208
3,3-dimethylcyclobutane-1-carbonitrile;ethane;propane
CID 171511357
(3S,5S)-4,4-dimethyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 86309063
3-methyl-3-propan-2-ylcyclobutane-1-carbonitrile
CID 162377689
1-cyclopropyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020239
(1R)-1-amino-2,2-dimethylcyclopropane-1-carbonitrile
CID 14669590
cis-(1S,3S)-3-acetyl-2,2-dimethylcyclopropane-1-carbonitrile
CID 86738007

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The IUPAC name of 2,2,3,3-tetramethylcyclopropane-1-carbonitrile (CID 12833029) is 2,2,3,3-tetramethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The canonical SMILES for 2,2,3,3-tetramethylcyclopropane-1-carbonitrile is CC1(C)C(C#N)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
The InChIKey is RKURKRQKAOQDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)6(5-9)8(7,3)4/h6H,1-4H3.
What are the key properties of 2,2,3,3-tetramethylcyclopropane-1-carbonitrile?
2,2,3,3-tetramethylcyclopropane-1-carbonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 12833029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).