2-methylpent-1-en-3-ylidenecyanamide

C7H10N2 — CID 91142076

IUPAC2-methylpent-1-en-3-ylidenecyanamide
SMILESC=C(C)/C(CC)=N/C#N
InChIInChI=1S/C7H10N2/c1-4-7(6(2)3)9-5-8/h2,4H2,1,3H3/b9-7+
InChIKeyWKWRCJVYMKZRNQ-VQHVLOKHSA-N
MW122.17 g/mol
LogP1.89
Rot. Bonds2

About 2-methylpent-1-en-3-ylidenecyanamide

2-methylpent-1-en-3-ylidenecyanamide (PubChem CID 91142076) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methylpent-1-en-3-ylidenecyanamide.

Molecular Properties

Compound Name2-methylpent-1-en-3-ylidenecyanamide
PubChem CID91142076
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-methylpent-1-en-3-ylidenecyanamide
SMILESC=C(C)/C(CC)=N/C#N
InChIInChI=1S/C7H10N2/c1-4-7(6(2)3)9-5-8/h2,4H2,1,3H3/b9-7+
InChIKeyWKWRCJVYMKZRNQ-VQHVLOKHSA-N
XLogP1.89
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-1-en-3-ylidenecyanamide?
The IUPAC name of 2-methylpent-1-en-3-ylidenecyanamide (CID 91142076) is 2-methylpent-1-en-3-ylidenecyanamide.
What is the SMILES notation for 2-methylpent-1-en-3-ylidenecyanamide?
The canonical SMILES for 2-methylpent-1-en-3-ylidenecyanamide is C=C(C)/C(CC)=N/C#N.
What is the InChIKey of 2-methylpent-1-en-3-ylidenecyanamide?
The InChIKey is WKWRCJVYMKZRNQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-7(6(2)3)9-5-8/h2,4H2,1,3H3/b9-7+.
What are the key properties of 2-methylpent-1-en-3-ylidenecyanamide?
2-methylpent-1-en-3-ylidenecyanamide has a molecular weight of 122.17 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-en-3-ylidenecyanamide is sourced from PubChem (CID 91142076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).