(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile

C8H13NO — CID 10773052

IUPAC(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile
SMILESC/C=C(/C#N)C(O)C(C)C
InChIInChI=1S/C8H13NO/c1-4-7(5-9)8(10)6(2)3/h4,6,8,10H,1-3H3/b7-4-
InChIKeyMFPAKAWRCKGZMB-DAXSKMNVSA-N
MW139.20 g/mol
LogP1.47
Rot. Bonds2

About (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile

(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile (PubChem CID 10773052) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile
PubChem CID10773052
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile
SMILESC/C=C(/C#N)C(O)C(C)C
InChIInChI=1S/C8H13NO/c1-4-7(5-9)8(10)6(2)3/h4,6,8,10H,1-3H3/b7-4-
InChIKeyMFPAKAWRCKGZMB-DAXSKMNVSA-N
XLogP1.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-hydroxy-5,9-dimethyl-2-methylidenedeca-4,8-dienenitrile
CID 15520855
3-Hydroxy-4-methyl-2-methylenepentanenitrile
CID 11240480
(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile
CID 11615335
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(2Z,4E,8E,12E)-14-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraenenitrile
CID 134840471
(E)-2-hydroxy-3-methylhex-3-enenitrile
CID 135038964
(E,2R)-2-hydroxy-3-methylhex-3-enenitrile
CID 135081124
(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(E)-2-ethenyl-3-hydroxyhex-4-enenitrile
CID 10558677
(E)-2-(hydroxymethyl)oct-2-enenitrile
CID 10773165
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile?
The IUPAC name of (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile (CID 10773052) is (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile.
What is the SMILES notation for (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile?
The canonical SMILES for (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile is C/C=C(/C#N)C(O)C(C)C.
What is the InChIKey of (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile?
The InChIKey is MFPAKAWRCKGZMB-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7(5-9)8(10)6(2)3/h4,6,8,10H,1-3H3/b7-4-.
What are the key properties of (2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile?
(2Z)-2-ethylidene-3-hydroxy-4-methylpentanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.47, 2 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-methylpentanenitrile is sourced from PubChem (CID 10773052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).