(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile

C13H23NO — CID 135049736

IUPAC(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
SMILESCCCCCCCC/C(C#N)=C(\C)CO
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-13(10-14)12(2)11-15/h15H,3-9,11H2,1-2H3/b13-12-
InChIKeyZMJZRNCFZHZQCY-SEYXRHQNSA-N
MW209.33 g/mol
LogP3.57
Rot. Bonds8

About (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile

(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile (PubChem CID 135049736) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile.

Molecular Properties

Compound Name(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
PubChem CID135049736
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
SMILESCCCCCCCC/C(C#N)=C(\C)CO
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-13(10-14)12(2)11-15/h15H,3-9,11H2,1-2H3/b13-12-
InChIKeyZMJZRNCFZHZQCY-SEYXRHQNSA-N
XLogP3.57
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile?
The IUPAC name of (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile (CID 135049736) is (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile.
What is the SMILES notation for (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile?
The canonical SMILES for (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile is CCCCCCCC/C(C#N)=C(\C)CO.
What is the InChIKey of (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile?
The InChIKey is ZMJZRNCFZHZQCY-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-6-7-8-9-13(10-14)12(2)11-15/h15H,3-9,11H2,1-2H3/b13-12-.
What are the key properties of (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile?
(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile has a molecular weight of 209.33 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile is sourced from PubChem (CID 135049736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).