(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol

C7H9NO — CID 145386438

IUPAC(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol
SMILES[H]/N=C/C(=C/C=C)C(=C)O
InChIInChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h3-5,8-9H,1-2H2/b7-4-,8-5+
InChIKeyYRWWFEQOMYIDNK-DKBJKEKUSA-N
MW123.15 g/mol
LogP1.82
Rot. Bonds3

About (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol

(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol (PubChem CID 145386438) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol
PubChem CID145386438
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol
SMILES[H]/N=C/C(=C/C=C)C(=C)O
InChIInChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h3-5,8-9H,1-2H2/b7-4-,8-5+
InChIKeyYRWWFEQOMYIDNK-DKBJKEKUSA-N
XLogP1.82
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.82
H-Bond Donors ≤ 52
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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Related Compounds

(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-ol
CID 138508447
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
(3Z)-3-[(E)-hydrazinylidenemethyl]hexa-1,3,5-trien-2-ol
CID 142257812
ethane;(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193809
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
(3Z)-5-methanimidoylhexa-1,3,5-trien-2-ol
CID 143933256
7-Methanimidoyl-3-methylcyclohepta-1,4,6-trien-1-ol
CID 144151344
7-Methanimidoylcyclohepta-1,4,6-trien-1-ol
CID 144213310
ethane;(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 145559198
5-Methanimidoyl-3-methylcyclopenta-1,4-dien-1-ol
CID 145591251
(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol
CID 143182820

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol (CID 145386438) is (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol is [H]/N=C/C(=C/C=C)C(=C)O.
What is the InChIKey of (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol?
The InChIKey is YRWWFEQOMYIDNK-DKBJKEKUSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-4-7(5-8)6(2)9/h3-5,8-9H,1-2H2/b7-4-,8-5+.
What are the key properties of (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol?
(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol has a molecular weight of 123.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 145386438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).