2-(2-methylprop-1-enylidene)nonanenitrile

C13H21N — CID 134995138

IUPAC2-(2-methylprop-1-enylidene)nonanenitrile
SMILESCCCCCCCC(=C=C(C)C)C#N
InChIInChI=1S/C13H21N/c1-4-5-6-7-8-9-13(11-14)10-12(2)3/h4-9H2,1-3H3
InChIKeyCAEDADZBBLGYBC-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-methylprop-1-enylidene)nonanenitrile

2-(2-methylprop-1-enylidene)nonanenitrile (PubChem CID 134995138) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(2-methylprop-1-enylidene)nonanenitrile.

Molecular Properties

Compound Name2-(2-methylprop-1-enylidene)nonanenitrile
PubChem CID134995138
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(2-methylprop-1-enylidene)nonanenitrile
SMILESCCCCCCCC(=C=C(C)C)C#N
InChIInChI=1S/C13H21N/c1-4-5-6-7-8-9-13(11-14)10-12(2)3/h4-9H2,1-3H3
InChIKeyCAEDADZBBLGYBC-UHFFFAOYSA-N
XLogP4.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

henicosanoyl cyanide
CID 54273514
2-methylidenehexadecanenitrile
CID 15496090
cyano octanoate
CID 88829134
2-(dicyanomethylidene)octyl-dimethylsulfanium
CID 139727733
3-oxoicosanenitrile
CID 86112525
8,9-dimethylhexadec-8-ene
CID 140717938
5-(2-methylprop-1-enylidene)non-3-yn-1-ol
CID 11063264
4-oxododecanenitrile
CID 10943401
heptanimidoyl cyanide
CID 155128085
hexadecane;methanol;hydrate
CID 87350275
octacosan-8-one
CID 86052342
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enylidene)nonanenitrile?
The IUPAC name of 2-(2-methylprop-1-enylidene)nonanenitrile (CID 134995138) is 2-(2-methylprop-1-enylidene)nonanenitrile.
What is the SMILES notation for 2-(2-methylprop-1-enylidene)nonanenitrile?
The canonical SMILES for 2-(2-methylprop-1-enylidene)nonanenitrile is CCCCCCCC(=C=C(C)C)C#N.
What is the InChIKey of 2-(2-methylprop-1-enylidene)nonanenitrile?
The InChIKey is CAEDADZBBLGYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-7-8-9-13(11-14)10-12(2)3/h4-9H2,1-3H3.
What are the key properties of 2-(2-methylprop-1-enylidene)nonanenitrile?
2-(2-methylprop-1-enylidene)nonanenitrile has a molecular weight of 191.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enylidene)nonanenitrile is sourced from PubChem (CID 134995138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).