2-methyl-4-methylidenenonanenitrile

C11H19N — CID 139366758

IUPAC2-methyl-4-methylidenenonanenitrile
SMILESC=C(CCCCC)CC(C)C#N
InChIInChI=1S/C11H19N/c1-4-5-6-7-10(2)8-11(3)9-12/h11H,2,4-8H2,1,3H3
InChIKeyYLFNSSLJJCTJDJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.67
Rot. Bonds6

About 2-methyl-4-methylidenenonanenitrile

2-methyl-4-methylidenenonanenitrile (PubChem CID 139366758) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-4-methylidenenonanenitrile.

Molecular Properties

Compound Name2-methyl-4-methylidenenonanenitrile
PubChem CID139366758
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-4-methylidenenonanenitrile
SMILESC=C(CCCCC)CC(C)C#N
InChIInChI=1S/C11H19N/c1-4-5-6-7-10(2)8-11(3)9-12/h11H,2,4-8H2,1,3H3
InChIKeyYLFNSSLJJCTJDJ-UHFFFAOYSA-N
XLogP3.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-methylidenedecan-1-ol
CID 164909455
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyl-5-methylideneundecane
CID 54320712
5-methyl-9-methylidenetetradecane
CID 142037910
3-methylidenedecane
CID 21453024
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
2-methylidenehexadecanenitrile
CID 15496090
18,23-dimethylidene-20-propyltetracontane
CID 164602954
3,5-dimethyl-10-methylidenepentadecane
CID 123460821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidenenonanenitrile?
The IUPAC name of 2-methyl-4-methylidenenonanenitrile (CID 139366758) is 2-methyl-4-methylidenenonanenitrile.
What is the SMILES notation for 2-methyl-4-methylidenenonanenitrile?
The canonical SMILES for 2-methyl-4-methylidenenonanenitrile is C=C(CCCCC)CC(C)C#N.
What is the InChIKey of 2-methyl-4-methylidenenonanenitrile?
The InChIKey is YLFNSSLJJCTJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-6-7-10(2)8-11(3)9-12/h11H,2,4-8H2,1,3H3.
What are the key properties of 2-methyl-4-methylidenenonanenitrile?
2-methyl-4-methylidenenonanenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidenenonanenitrile is sourced from PubChem (CID 139366758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).