(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile

C9H11NO — CID 143349265

IUPAC(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
SMILESC=C(C#N)/C=C(C)\C=C/CO
InChIInChI=1S/C9H11NO/c1-8(4-3-5-11)6-9(2)7-10/h3-4,6,11H,2,5H2,1H3/b4-3-,8-6-
InChIKeyCLGXMQQUYKWLAT-XYMCEGRYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds3

About (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile

(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile (PubChem CID 143349265) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
PubChem CID143349265
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile
SMILESC=C(C#N)/C=C(C)\C=C/CO
InChIInChI=1S/C9H11NO/c1-8(4-3-5-11)6-9(2)7-10/h3-4,6,11H,2,5H2,1H3/b4-3-,8-6-
InChIKeyCLGXMQQUYKWLAT-XYMCEGRYSA-N
XLogP1.56
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-5-hydroxycyclohepta-1,3,6-triene-1-carbonitrile
CID 89167321
(2E)-2-[(E)-3,3-dihydroxyprop-1-enyl]-4-fluoropenta-2,4-dienenitrile
CID 144171081
(3E)-4-fluoro-5-(hydroxymethyl)-2-methylidenehexa-3,5-dienenitrile
CID 178060183
(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
CID 11007888
(4Z,6E)-8-hydroxyocta-4,6-dienenitrile
CID 134863896
(2Z,4E)-6-hydroxy-3-methylhexa-2,4-dienenitrile
CID 138971116
(3E,5E)-3-fluoro-5-(hydroxymethyl)-2-methylidenehepta-3,5-dienenitrile
CID 141947983
(E)-2-(hydroxymethyl)oct-2-enenitrile
CID 10773165
(E)-2-(hydroxymethyl)pent-2-enenitrile
CID 10877073
(E)-2-(hydroxymethyl)hex-2-enenitrile
CID 10975485
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836
5-Hydroxy-4-methylpent-3-enenitrile
CID 53426742

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile?
The IUPAC name of (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile (CID 143349265) is (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile.
What is the SMILES notation for (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile?
The canonical SMILES for (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile is C=C(C#N)/C=C(C)\C=C/CO.
What is the InChIKey of (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile?
The InChIKey is CLGXMQQUYKWLAT-XYMCEGRYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(4-3-5-11)6-9(2)7-10/h3-4,6,11H,2,5H2,1H3/b4-3-,8-6-.
What are the key properties of (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile?
(3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile has a molecular weight of 149.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-hydroxy-4-methyl-2-methylidenehepta-3,5-dienenitrile is sourced from PubChem (CID 143349265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).