(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol

C9H15NO — CID 176975575

IUPAC(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C(\C=N\C)CC
InChIInChI=1S/C9H15NO/c1-4-8(7-10-3)6-9(11)5-2/h5-7,11H,4H2,1-3H3/b8-6+,9-5+,10-7+
InChIKeyXVZZUMJPOZNDRV-PYJDZRBVSA-N
MW153.22 g/mol
LogP2.49
Rot. Bonds3

About (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol

(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol (PubChem CID 176975575) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
PubChem CID176975575
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C(\C=N\C)CC
InChIInChI=1S/C9H15NO/c1-4-8(7-10-3)6-9(11)5-2/h5-7,11H,4H2,1-3H3/b8-6+,9-5+,10-7+
InChIKeyXVZZUMJPOZNDRV-PYJDZRBVSA-N
XLogP2.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.49
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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Related Compounds

(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 153465555
(2E)-2-ethylidene-N-methylpent-4-en-1-imine
CID 144940239
tert-butyl acetate;ethane;(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 145026020
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
(E)-3-chloro-N,2-dimethylpent-2-en-1-imine
CID 176921489
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
4-methylimino-3-oxobutanoic acid
CID 141059268
(2E,4E)-4-ethylhexa-2,4-dienoic acid
CID 10942523
(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
CID 123331055
acetic acid;2-methyliminoacetic acid
CID 87702194

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol (CID 176975575) is (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol is C/C=C(O)\C=C(\C=N\C)CC.
What is the InChIKey of (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol?
The InChIKey is XVZZUMJPOZNDRV-PYJDZRBVSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(7-10-3)6-9(11)5-2/h5-7,11H,4H2,1-3H3/b8-6+,9-5+,10-7+.
What are the key properties of (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol?
(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol is sourced from PubChem (CID 176975575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).