(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile

C9H10N2 — CID 91982539

IUPAC(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
SMILESCC1=N/C1=C(C)/C=C(/C)C#N
InChIInChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3/b6-4-,9-7+
InChIKeyFSOOASDPOCCSSB-UNQQQNFISA-N
MW146.19 g/mol
LogP2.20
Rot. Bonds1

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

(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile (PubChem CID 91982539) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile.

Molecular Properties

Compound Name(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
PubChem CID91982539
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile
SMILESCC1=N/C1=C(C)/C=C(/C)C#N
InChIInChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3/b6-4-,9-7+
InChIKeyFSOOASDPOCCSSB-UNQQQNFISA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The IUPAC name of (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile (CID 91982539) is (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile.
What is the SMILES notation for (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The canonical SMILES for (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile is CC1=N/C1=C(C)/C=C(/C)C#N.
What is the InChIKey of (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
The InChIKey is FSOOASDPOCCSSB-UNQQQNFISA-N. The full InChI is InChI=1S/C9H10N2/c1-6(5-10)4-7(2)9-8(3)11-9/h4H,1-3H3/b6-4-,9-7+.
What are the key properties of (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile?
(Z,4E)-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 (Z,4E)-2-methyl-4-(3-methylazirin-2-ylidene)pent-2-enenitrile is sourced from PubChem (CID 91982539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).