2-methylhex-2-ene;oxalonitrile

C9H14N2 — CID 174896444

IUPAC2-methylhex-2-ene;oxalonitrile
SMILESCCCC=C(C)C.N#CC#N
InChIInChI=1S/C7H14.C2N2/c1-4-5-6-7(2)3;3-1-2-4/h6H,4-5H2,1-3H3;
InChIKeyIRXFIPRYAHOGRV-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.79
Rot. Bonds2

About 2-methylhex-2-ene;oxalonitrile

2-methylhex-2-ene;oxalonitrile (PubChem CID 174896444) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methylhex-2-ene;oxalonitrile.

Molecular Properties

Compound Name2-methylhex-2-ene;oxalonitrile
PubChem CID174896444
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methylhex-2-ene;oxalonitrile
SMILESCCCC=C(C)C.N#CC#N
InChIInChI=1S/C7H14.C2N2/c1-4-5-6-7(2)3;3-1-2-4/h6H,4-5H2,1-3H3;
InChIKeyIRXFIPRYAHOGRV-UHFFFAOYSA-N
XLogP2.79
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylhex-2-ene;oxalonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbamoylurea;2-methylhex-2-ene
CID 174255335
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
2-butylidene-3-ethylidenebutanedinitrile
CID 54047697
(3Z,5Z)-5-methylnona-3,5-dienenitrile
CID 143786949
(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-2-chlorohex-2-ene
CID 19796923
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
pent-1-ene-1,1-diol
CID 21473005
(Z)-2-methylpent-2-enenitrile
CID 5352199
3,7-dimethyloct-6-enenitrile
CID 89052536
2-cyanohex-2-enethioamide
CID 173457550

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-ene;oxalonitrile?
The IUPAC name of 2-methylhex-2-ene;oxalonitrile (CID 174896444) is 2-methylhex-2-ene;oxalonitrile.
What is the SMILES notation for 2-methylhex-2-ene;oxalonitrile?
The canonical SMILES for 2-methylhex-2-ene;oxalonitrile is CCCC=C(C)C.N#CC#N.
What is the InChIKey of 2-methylhex-2-ene;oxalonitrile?
The InChIKey is IRXFIPRYAHOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2N2/c1-4-5-6-7(2)3;3-1-2-4/h6H,4-5H2,1-3H3;.
What are the key properties of 2-methylhex-2-ene;oxalonitrile?
2-methylhex-2-ene;oxalonitrile has a molecular weight of 150.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-ene;oxalonitrile is sourced from PubChem (CID 174896444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).