1,2-dimethylcycloprop-2-ene-1-carbonitrile

C6H7N — CID 119098374

IUPAC1,2-dimethylcycloprop-2-ene-1-carbonitrile
SMILESCC1=CC1(C)C#N
InChIInChI=1S/C6H7N/c1-5-3-6(5,2)4-7/h3H,1-2H3
InChIKeyWIJDZFKEQCVYHH-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.48
Rot. Bonds

About 1,2-dimethylcycloprop-2-ene-1-carbonitrile

1,2-dimethylcycloprop-2-ene-1-carbonitrile (PubChem CID 119098374) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 1,2-dimethylcycloprop-2-ene-1-carbonitrile.

Molecular Properties

Compound Name1,2-dimethylcycloprop-2-ene-1-carbonitrile
PubChem CID119098374
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name1,2-dimethylcycloprop-2-ene-1-carbonitrile
SMILESCC1=CC1(C)C#N
InChIInChI=1S/C6H7N/c1-5-3-6(5,2)4-7/h3H,1-2H3
InChIKeyWIJDZFKEQCVYHH-UHFFFAOYSA-N
XLogP1.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,4R,11R)-1,4,5,8,9,11-hexamethyltricyclo[5.3.1.04,11]undeca-5,7,9-triene-2,2,3,3-tetracarbonitrile
CID 23253050
1,3-dimethylcyclohex-2-ene-1-carbonitrile
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2-(2,6-dimethyl-4-methylsulfanylpyran-4-yl)propanedinitrile
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ethane;1-methylcyclopropane-1-carbonitrile
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1,2,4,5-tetramethylcyclohexa-2,5-diene-1,4-diamine
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3,6-dichloro-1,3,4,6-tetramethylcyclohexa-1,4-diene
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CID 134898626
CID 134898626
3,3-dimethylcyclobutene-1-carbonitrile
CID 91962457
1,2,4-trimethylbicyclo[2.2.2]oct-2-ene
CID 144883153
1-(2,3,3-trimethyl-1,2-dihydropyrrol-5-yl)cyclopropane-1-carbonitrile
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1,3,4,5,6,8,9,10-octamethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2,7-dicarbonitrile
CID 5255525
5-(4,4-dimethyl-2-oxo-3H-1,3-oxazin-6-yl)-4-methylthiophene-2-carbonitrile
CID 18435569

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcycloprop-2-ene-1-carbonitrile?
The IUPAC name of 1,2-dimethylcycloprop-2-ene-1-carbonitrile (CID 119098374) is 1,2-dimethylcycloprop-2-ene-1-carbonitrile.
What is the SMILES notation for 1,2-dimethylcycloprop-2-ene-1-carbonitrile?
The canonical SMILES for 1,2-dimethylcycloprop-2-ene-1-carbonitrile is CC1=CC1(C)C#N.
What is the InChIKey of 1,2-dimethylcycloprop-2-ene-1-carbonitrile?
The InChIKey is WIJDZFKEQCVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-5-3-6(5,2)4-7/h3H,1-2H3.
What are the key properties of 1,2-dimethylcycloprop-2-ene-1-carbonitrile?
1,2-dimethylcycloprop-2-ene-1-carbonitrile has a molecular weight of 93.13 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcycloprop-2-ene-1-carbonitrile is sourced from PubChem (CID 119098374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).