(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol

C6H11NO — CID 88927196

IUPAC(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol
SMILESC/C=C\C=C(\O)NC
InChIInChI=1S/C6H11NO/c1-3-4-5-6(8)7-2/h3-5,7-8H,1-2H3/b4-3-,6-5+
InChIKeyJCJMJIZMSDJLBP-DNVGVPOPSA-N
MW113.16 g/mol
LogP1.18
Rot. Bonds2

About (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol

(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol (PubChem CID 88927196) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol
PubChem CID88927196
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol
SMILESC/C=C\C=C(\O)NC
InChIInChI=1S/C6H11NO/c1-3-4-5-6(8)7-2/h3-5,7-8H,1-2H3/b4-3-,6-5+
InChIKeyJCJMJIZMSDJLBP-DNVGVPOPSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol?
The IUPAC name of (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol (CID 88927196) is (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol.
What is the SMILES notation for (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol?
The canonical SMILES for (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol is C/C=C\C=C(\O)NC.
What is the InChIKey of (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol?
The InChIKey is JCJMJIZMSDJLBP-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5-6(8)7-2/h3-5,7-8H,1-2H3/b4-3-,6-5+.
What are the key properties of (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol?
(1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol has a molecular weight of 113.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(methylamino)penta-1,3-dien-1-ol is sourced from PubChem (CID 88927196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).