(4E)-3-imino-4-methylhexa-1,4-dien-2-ol

C7H11NO — CID 167291593

IUPAC(4E)-3-imino-4-methylhexa-1,4-dien-2-ol
SMILES[H]/N=C(C(=C)O)/C(C)=C/C
InChIInChI=1S/C7H11NO/c1-4-5(2)7(8)6(3)9/h4,8-9H,3H2,1-2H3/b5-4+,8-7-
InChIKeyWMCSZUXWTYIKAU-HTKRNXBHSA-N
MW125.17 g/mol
LogP2.04
Rot. Bonds2

About (4E)-3-imino-4-methylhexa-1,4-dien-2-ol

(4E)-3-imino-4-methylhexa-1,4-dien-2-ol (PubChem CID 167291593) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (4E)-3-imino-4-methylhexa-1,4-dien-2-ol.

Molecular Properties

Compound Name(4E)-3-imino-4-methylhexa-1,4-dien-2-ol
PubChem CID167291593
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(4E)-3-imino-4-methylhexa-1,4-dien-2-ol
SMILES[H]/N=C(C(=C)O)/C(C)=C/C
InChIInChI=1S/C7H11NO/c1-4-5(2)7(8)6(3)9/h4,8-9H,3H2,1-2H3/b5-4+,8-7-
InChIKeyWMCSZUXWTYIKAU-HTKRNXBHSA-N
XLogP2.04
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-imino-4-methylhexa-1,4-dien-2-ol?
The IUPAC name of (4E)-3-imino-4-methylhexa-1,4-dien-2-ol (CID 167291593) is (4E)-3-imino-4-methylhexa-1,4-dien-2-ol.
What is the SMILES notation for (4E)-3-imino-4-methylhexa-1,4-dien-2-ol?
The canonical SMILES for (4E)-3-imino-4-methylhexa-1,4-dien-2-ol is [H]/N=C(C(=C)O)/C(C)=C/C.
What is the InChIKey of (4E)-3-imino-4-methylhexa-1,4-dien-2-ol?
The InChIKey is WMCSZUXWTYIKAU-HTKRNXBHSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5(2)7(8)6(3)9/h4,8-9H,3H2,1-2H3/b5-4+,8-7-.
What are the key properties of (4E)-3-imino-4-methylhexa-1,4-dien-2-ol?
(4E)-3-imino-4-methylhexa-1,4-dien-2-ol has a molecular weight of 125.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-imino-4-methylhexa-1,4-dien-2-ol is sourced from PubChem (CID 167291593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).