(E)-1-(methylamino)pent-3-en-2-ol

C6H13NO — CID 15635079

IUPAC(E)-1-(methylamino)pent-3-en-2-ol
SMILESC/C=C/C(O)CNC
InChIInChI=1S/C6H13NO/c1-3-4-6(8)5-7-2/h3-4,6-8H,5H2,1-2H3/b4-3+
InChIKeyIHANYBVKBXQIME-ONEGZZNKSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds3

About (E)-1-(methylamino)pent-3-en-2-ol

(E)-1-(methylamino)pent-3-en-2-ol (PubChem CID 15635079) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-1-(methylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(methylamino)pent-3-en-2-ol
PubChem CID15635079
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-1-(methylamino)pent-3-en-2-ol
SMILESC/C=C/C(O)CNC
InChIInChI=1S/C6H13NO/c1-3-4-6(8)5-7-2/h3-4,6-8H,5H2,1-2H3/b4-3+
InChIKeyIHANYBVKBXQIME-ONEGZZNKSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(methylamino)pent-3-en-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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(methylamino)pent-3-en-2-ol?
The IUPAC name of (E)-1-(methylamino)pent-3-en-2-ol (CID 15635079) is (E)-1-(methylamino)pent-3-en-2-ol.
What is the SMILES notation for (E)-1-(methylamino)pent-3-en-2-ol?
The canonical SMILES for (E)-1-(methylamino)pent-3-en-2-ol is C/C=C/C(O)CNC.
What is the InChIKey of (E)-1-(methylamino)pent-3-en-2-ol?
The InChIKey is IHANYBVKBXQIME-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-6(8)5-7-2/h3-4,6-8H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-(methylamino)pent-3-en-2-ol?
(E)-1-(methylamino)pent-3-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(methylamino)pent-3-en-2-ol is sourced from PubChem (CID 15635079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).