(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol

C6H9NO — CID 143712390

IUPAC(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)N=C
InChIInChI=1S/C6H9NO/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-
InChIKeyNLUWBEGLGWLSBL-XQRVVYSFSA-N
MW111.14 g/mol
LogP0.75
Rot. Bonds3

About (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol

(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol (PubChem CID 143712390) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
PubChem CID143712390
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)N=C
InChIInChI=1S/C6H9NO/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-
InChIKeyNLUWBEGLGWLSBL-XQRVVYSFSA-N
XLogP0.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.75
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'}

Analyze (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
2-(methylideneamino)but-2-en-1-ol
CID 123260913
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919
(3Z)-2-ethyl-3-(methylideneamino)hexa-3,5-dien-1-ol
CID 177062750
penta-2,4-diene-1,2-diol
CID 150489968
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
2-prop-2-enylidenebutane-1,3-diol
CID 175263998
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899
[4-[(2Z)-2-(methylideneamino)penta-2,4-dienoxy]phenyl]methoxy thiohypoiodite
CID 162378371
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol?
The IUPAC name of (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol (CID 143712390) is (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol is C=C/C=C(/CO)N=C.
What is the InChIKey of (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol?
The InChIKey is NLUWBEGLGWLSBL-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-.
What are the key properties of (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol?
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylideneamino)penta-2,4-dien-1-ol is sourced from PubChem (CID 143712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).