(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile

C9H15NO — CID 10582972

IUPAC(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile
SMILESC/C=C(/C#N)C(O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,8,11H,1-4H3/b7-5-
InChIKeyIBKCEVKMMBEDNI-ALCCZGGFSA-N
MW153.22 g/mol
LogP1.86
Rot. Bonds1

About (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile

(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile (PubChem CID 10582972) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile
PubChem CID10582972
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile
SMILESC/C=C(/C#N)C(O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,8,11H,1-4H3/b7-5-
InChIKeyIBKCEVKMMBEDNI-ALCCZGGFSA-N
XLogP1.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile 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

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(E,5R)-5-hydroxy-2,7,7-trimethyloct-2-enenitrile
CID 134965547
(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836
(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
CID 12848402
(2E)-4-hydroxy-3,7-dimethylocta-2,6-dienenitrile
CID 12848404
(E)-3-hydroxy-2,2-dimethylhex-4-enenitrile
CID 15070279
2-(1-Hydroxyethyl)but-2-enenitrile
CID 53941409
3-Hydroxy-2,2,4-trimethylpent-4-enenitrile
CID 54361824
3-Hydroxy-5,5-dimethyl-2-methylidenehexanenitrile
CID 57708225
3-Hydroxy-4,4-dimethyl-2-methylidenepentanenitrile
CID 57708279

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile?
The IUPAC name of (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile (CID 10582972) is (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile.
What is the SMILES notation for (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile?
The canonical SMILES for (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile is C/C=C(/C#N)C(O)C(C)(C)C.
What is the InChIKey of (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile?
The InChIKey is IBKCEVKMMBEDNI-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(6-10)8(11)9(2,3)4/h5,8,11H,1-4H3/b7-5-.
What are the key properties of (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile?
(2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3-hydroxy-4,4-dimethylpentanenitrile is sourced from PubChem (CID 10582972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).