3,4-dimethyl-2-propan-2-ylpent-3-enenitrile

C10H17N — CID 12678755

IUPAC3,4-dimethyl-2-propan-2-ylpent-3-enenitrile
SMILESCC(C)=C(C)C(C#N)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h8,10H,1-5H3
InChIKeyQNQFFKGBLKIGPS-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.14
Rot. Bonds2

About 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile

3,4-dimethyl-2-propan-2-ylpent-3-enenitrile (PubChem CID 12678755) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile.

Molecular Properties

Compound Name3,4-dimethyl-2-propan-2-ylpent-3-enenitrile
PubChem CID12678755
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,4-dimethyl-2-propan-2-ylpent-3-enenitrile
SMILESCC(C)=C(C)C(C#N)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h8,10H,1-5H3
InChIKeyQNQFFKGBLKIGPS-UHFFFAOYSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2-propan-2-ylpent-3-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 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile?
The IUPAC name of 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile (CID 12678755) is 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile.
What is the SMILES notation for 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile?
The canonical SMILES for 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile is CC(C)=C(C)C(C#N)C(C)C.
What is the InChIKey of 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile?
The InChIKey is QNQFFKGBLKIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h8,10H,1-5H3.
What are the key properties of 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile?
3,4-dimethyl-2-propan-2-ylpent-3-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-propan-2-ylpent-3-enenitrile is sourced from PubChem (CID 12678755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).