(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile

C8H10N2O — CID 166130684

IUPAC(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
SMILESC=C/C(N)=C(/OC)C(=C)C#N
InChIInChI=1S/C8H10N2O/c1-4-7(10)8(11-3)6(2)5-9/h4H,1-2,10H2,3H3/b8-7-
InChIKeyWADWDRIIIFQEAY-FPLPWBNLSA-N
MW150.18 g/mol
LogP1.07
Rot. Bonds3

About (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile

(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile (PubChem CID 166130684) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
PubChem CID166130684
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile
SMILESC=C/C(N)=C(/OC)C(=C)C#N
InChIInChI=1S/C8H10N2O/c1-4-7(10)8(11-3)6(2)5-9/h4H,1-2,10H2,3H3/b8-7-
InChIKeyWADWDRIIIFQEAY-FPLPWBNLSA-N
XLogP1.07
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile?
The IUPAC name of (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile (CID 166130684) is (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile.
What is the SMILES notation for (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile?
The canonical SMILES for (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile is C=C/C(N)=C(/OC)C(=C)C#N.
What is the InChIKey of (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile?
The InChIKey is WADWDRIIIFQEAY-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H10N2O/c1-4-7(10)8(11-3)6(2)5-9/h4H,1-2,10H2,3H3/b8-7-.
What are the key properties of (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile?
(3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-3-methoxy-2-methylidenehexa-3,5-dienenitrile is sourced from PubChem (CID 166130684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).