2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile

C9H10N2 — CID 71379504

IUPAC2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
SMILESCC(C#N)=CC(C)=C1N=C1C
InChIInChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3
InChIKeyFSOOASDPOCCSSB-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.20
Rot. Bonds1

About 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile

2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile (PubChem CID 71379504) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile.

Molecular Properties

Compound Name2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
PubChem CID71379504
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
SMILESCC(C#N)=CC(C)=C1N=C1C
InChIInChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3
InChIKeyFSOOASDPOCCSSB-UHFFFAOYSA-N
XLogP2.20
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The IUPAC name of 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile (CID 71379504) is 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile.
What is the SMILES notation for 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The canonical SMILES for 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile is CC(C#N)=CC(C)=C1N=C1C.
What is the InChIKey of 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The InChIKey is FSOOASDPOCCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3.
What are the key properties of 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile has a molecular weight of 146.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile is sourced from PubChem (CID 71379504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).