4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile

C10H15N — CID 15304971

IUPAC4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile
SMILESC=C(C)CC(C#N)CC(=C)C
InChIInChI=1S/C10H15N/c1-8(2)5-10(7-11)6-9(3)4/h10H,1,3,5-6H2,2,4H3
InChIKeyXMHKTORAWPCVMY-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.06
Rot. Bonds4

About 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile

4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile (PubChem CID 15304971) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile
PubChem CID15304971
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile
SMILESC=C(C)CC(C#N)CC(=C)C
InChIInChI=1S/C10H15N/c1-8(2)5-10(7-11)6-9(3)4/h10H,1,3,5-6H2,2,4H3
InChIKeyXMHKTORAWPCVMY-UHFFFAOYSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile?
The IUPAC name of 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile (CID 15304971) is 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile.
What is the SMILES notation for 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile?
The canonical SMILES for 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile is C=C(C)CC(C#N)CC(=C)C.
What is the InChIKey of 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile?
The InChIKey is XMHKTORAWPCVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)5-10(7-11)6-9(3)4/h10H,1,3,5-6H2,2,4H3.
What are the key properties of 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile?
4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylprop-2-enyl)pent-4-enenitrile is sourced from PubChem (CID 15304971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).