(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile

C8H10N2O — CID 121427980

IUPAC(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile
SMILESC/C=C\C=C(C)/C(C#N)=N/O
InChIInChI=1S/C8H10N2O/c1-3-4-5-7(2)8(6-9)10-11/h3-5,11H,1-2H3/b4-3-,7-5-,10-8+
InChIKeyCEOMFCAXTKIEMI-XNEMPWPBSA-N
MW150.18 g/mol
LogP1.86
Rot. Bonds2

About (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile

(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile (PubChem CID 121427980) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile.

Molecular Properties

Compound Name(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile
PubChem CID121427980
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile
SMILESC/C=C\C=C(C)/C(C#N)=N/O
InChIInChI=1S/C8H10N2O/c1-3-4-5-7(2)8(6-9)10-11/h3-5,11H,1-2H3/b4-3-,7-5-,10-8+
InChIKeyCEOMFCAXTKIEMI-XNEMPWPBSA-N
XLogP1.86
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile?
The IUPAC name of (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile (CID 121427980) is (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile.
What is the SMILES notation for (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile?
The canonical SMILES for (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile is C/C=C\C=C(C)/C(C#N)=N/O.
What is the InChIKey of (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile?
The InChIKey is CEOMFCAXTKIEMI-XNEMPWPBSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-4-5-7(2)8(6-9)10-11/h3-5,11H,1-2H3/b4-3-,7-5-,10-8+.
What are the key properties of (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile?
(2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5Z)-2-hydroxyimino-3-methylhepta-3,5-dienenitrile is sourced from PubChem (CID 121427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).