(1E)-1-(methylideneamino)buta-1,3-dien-2-ol

C5H7NO — CID 143277804

IUPAC(1E)-1-(methylideneamino)buta-1,3-dien-2-ol
SMILESC=C/C(O)=C\N=C
InChIInChI=1S/C5H7NO/c1-3-5(7)4-6-2/h3-4,7H,1-2H2/b5-4+
InChIKeyRBTLIOODBBPSMZ-SNAWJCMRSA-N
MW97.12 g/mol
LogP1.27
Rot. Bonds2

About (1E)-1-(methylideneamino)buta-1,3-dien-2-ol

(1E)-1-(methylideneamino)buta-1,3-dien-2-ol (PubChem CID 143277804) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is (1E)-1-(methylideneamino)buta-1,3-dien-2-ol.

Molecular Properties

Compound Name(1E)-1-(methylideneamino)buta-1,3-dien-2-ol
PubChem CID143277804
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name(1E)-1-(methylideneamino)buta-1,3-dien-2-ol
SMILESC=C/C(O)=C\N=C
InChIInChI=1S/C5H7NO/c1-3-5(7)4-6-2/h3-4,7H,1-2H2/b5-4+
InChIKeyRBTLIOODBBPSMZ-SNAWJCMRSA-N
XLogP1.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.27
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'}

Analyze (1E)-1-(methylideneamino)buta-1,3-dien-2-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-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
N-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]formamide
CID 143633912
ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154773
1,3-dihydroxypenta-2,4-dienylidenetungsten
CID 157079397
(E)-N-ethenyl-1-(methylideneamino)prop-1-en-2-amine
CID 156715477
(1E)-N-benzyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 156645928
potassium;prop-2-enoic acid;hydroxide
CID 23712932
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
(4E)-3-tert-butyl-4-[(methylideneamino)methylidene]hex-5-enoic acid
CID 165404947
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
CID 143775554
(4E)-4-[(methylideneamino)methylidene]-3-(2-methylpropyl)hex-5-enoic acid
CID 165405457

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(methylideneamino)buta-1,3-dien-2-ol?
The IUPAC name of (1E)-1-(methylideneamino)buta-1,3-dien-2-ol (CID 143277804) is (1E)-1-(methylideneamino)buta-1,3-dien-2-ol.
What is the SMILES notation for (1E)-1-(methylideneamino)buta-1,3-dien-2-ol?
The canonical SMILES for (1E)-1-(methylideneamino)buta-1,3-dien-2-ol is C=C/C(O)=C\N=C.
What is the InChIKey of (1E)-1-(methylideneamino)buta-1,3-dien-2-ol?
The InChIKey is RBTLIOODBBPSMZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-5(7)4-6-2/h3-4,7H,1-2H2/b5-4+.
What are the key properties of (1E)-1-(methylideneamino)buta-1,3-dien-2-ol?
(1E)-1-(methylideneamino)buta-1,3-dien-2-ol has a molecular weight of 97.12 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(methylideneamino)buta-1,3-dien-2-ol is sourced from PubChem (CID 143277804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).