2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile

C9H12N2 — CID 89070575

IUPAC2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C=C\C(C)C
InChIInChI=1S/C9H12N2/c1-8(2)5-4-6-11-9(3)7-10/h4-6,8H,3H2,1-2H3/b5-4-,11-6+
InChIKeyLKYWKRWWIDDHPC-UMEJXRAUSA-N
MW148.21 g/mol
LogP2.31
Rot. Bonds3

About 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile

2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile (PubChem CID 89070575) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile.

Molecular Properties

Compound Name2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile
PubChem CID89070575
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C=C\C(C)C
InChIInChI=1S/C9H12N2/c1-8(2)5-4-6-11-9(3)7-10/h4-6,8H,3H2,1-2H3/b5-4-,11-6+
InChIKeyLKYWKRWWIDDHPC-UMEJXRAUSA-N
XLogP2.31
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile?
The IUPAC name of 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile (CID 89070575) is 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile.
What is the SMILES notation for 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile?
The canonical SMILES for 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile is C=C(C#N)/N=C/C=C\C(C)C.
What is the InChIKey of 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile?
The InChIKey is LKYWKRWWIDDHPC-UMEJXRAUSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(2)5-4-6-11-9(3)7-10/h4-6,8H,3H2,1-2H3/b5-4-,11-6+.
What are the key properties of 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile?
2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile has a molecular weight of 148.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile is sourced from PubChem (CID 89070575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).