(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol

C8H13NO — CID 143071584

IUPAC(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=N\C)C(C)O
InChIInChI=1S/C8H13NO/c1-4-5-8(6-9-3)7(2)10/h4-7,10H,1H2,2-3H3/b8-5+,9-6+
InChIKeyQCSLNYIXHVABQJ-XVYDYJIPSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds3

About (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol

(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol (PubChem CID 143071584) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
PubChem CID143071584
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=N\C)C(C)O
InChIInChI=1S/C8H13NO/c1-4-5-8(6-9-3)7(2)10/h4-7,10H,1H2,2-3H3/b8-5+,9-6+
InChIKeyQCSLNYIXHVABQJ-XVYDYJIPSA-N
XLogP1.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methylidene-6-methyliminohex-4-en-2-ol
CID 88267968
(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
1-(2,3-Dihydropyridin-5-yl)propan-1-ol
CID 89150639
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(4E)-4-methanimidoyl-7-methylocta-4,6-dien-3-ol
CID 89771742
1-(2,3-Dihydropyridin-5-yl)but-3-en-1-ol
CID 121327394
(4-Hydroxy-3-methylcyclohexa-1,5-dien-1-yl)methylidenecyanamide
CID 123530431
4-(Methyliminomethyl)cyclohexa-2,4-dien-1-ol
CID 123677955
1-(2,3-Dihydropyridin-5-yl)ethanol
CID 123819393
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(E,2R)-3-[(Z)-methoxyiminomethyl]hex-3-en-2-ol
CID 132023547
(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol
CID 139323211

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol?
The IUPAC name of (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol (CID 143071584) is (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol.
What is the SMILES notation for (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol?
The canonical SMILES for (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol is C=C/C=C(\C=N\C)C(C)O.
What is the InChIKey of (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol?
The InChIKey is QCSLNYIXHVABQJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-8(6-9-3)7(2)10/h4-7,10H,1H2,2-3H3/b8-5+,9-6+.
What are the key properties of (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol?
(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol has a molecular weight of 139.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol is sourced from PubChem (CID 143071584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).