3-(2-methylidenenonoxy)propanenitrile

C13H23NO — CID 156890401

IUPAC3-(2-methylidenenonoxy)propanenitrile
SMILESC=C(CCCCCCC)COCCC#N
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h2-9,11-12H2,1H3
InChIKeyPCPYRNZAOGEAAH-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.83
Rot. Bonds10

About 3-(2-methylidenenonoxy)propanenitrile

3-(2-methylidenenonoxy)propanenitrile (PubChem CID 156890401) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(2-methylidenenonoxy)propanenitrile.

Molecular Properties

Compound Name3-(2-methylidenenonoxy)propanenitrile
PubChem CID156890401
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(2-methylidenenonoxy)propanenitrile
SMILESC=C(CCCCCCC)COCCC#N
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h2-9,11-12H2,1H3
InChIKeyPCPYRNZAOGEAAH-UHFFFAOYSA-N
XLogP3.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
3-(3-methylidenedecan-2-yloxy)propanenitrile
CID 156890381
3-(2-methylidenenonylamino)propanenitrile
CID 163840487
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-(heptoxymethyl)prop-2-en-1-amine
CID 103074513
3-[(E)-pentadec-4-enoxy]propanenitrile
CID 101282700
3-[(E)-tridec-6-enoxy]propanenitrile
CID 101282677
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
3-methylidenedecane
CID 21453024

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenenonoxy)propanenitrile?
The IUPAC name of 3-(2-methylidenenonoxy)propanenitrile (CID 156890401) is 3-(2-methylidenenonoxy)propanenitrile.
What is the SMILES notation for 3-(2-methylidenenonoxy)propanenitrile?
The canonical SMILES for 3-(2-methylidenenonoxy)propanenitrile is C=C(CCCCCCC)COCCC#N.
What is the InChIKey of 3-(2-methylidenenonoxy)propanenitrile?
The InChIKey is PCPYRNZAOGEAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-6-7-9-13(2)12-15-11-8-10-14/h2-9,11-12H2,1H3.
What are the key properties of 3-(2-methylidenenonoxy)propanenitrile?
3-(2-methylidenenonoxy)propanenitrile has a molecular weight of 209.33 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenenonoxy)propanenitrile is sourced from PubChem (CID 156890401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).