(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol

C7H11NO — CID 126603203

IUPAC(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol
SMILESC=N/C(C)=C\C=C(/C)O
InChIInChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5,9H,3H2,1-2H3/b6-4-,7-5+
InChIKeyFBXBQBRAAYILHP-XGXWUAJZSA-N
MW125.17 g/mol
LogP2.05
Rot. Bonds2

About (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol

(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol (PubChem CID 126603203) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol
PubChem CID126603203
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol
SMILESC=N/C(C)=C\C=C(/C)O
InChIInChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5,9H,3H2,1-2H3/b6-4-,7-5+
InChIKeyFBXBQBRAAYILHP-XGXWUAJZSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol (CID 126603203) is (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol is C=N/C(C)=C\C=C(/C)O.
What is the InChIKey of (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol?
The InChIKey is FBXBQBRAAYILHP-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(8-3)4-5-7(2)9/h4-5,9H,3H2,1-2H3/b6-4-,7-5+.
What are the key properties of (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol?
(2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol has a molecular weight of 125.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(methylideneamino)hexa-2,4-dien-2-ol is sourced from PubChem (CID 126603203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).