(Z)-3-(methylamino)pent-2-en-2-ol

C6H13NO — CID 163733816

IUPAC(Z)-3-(methylamino)pent-2-en-2-ol
SMILESCC/C(NC)=C(\C)O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h7-8H,4H2,1-3H3/b6-5-
InChIKeyLBXAXFJPDIFLQC-WAYWQWQTSA-N
MW115.18 g/mol
LogP1.41
Rot. Bonds2

About (Z)-3-(methylamino)pent-2-en-2-ol

(Z)-3-(methylamino)pent-2-en-2-ol (PubChem CID 163733816) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-3-(methylamino)pent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-3-(methylamino)pent-2-en-2-ol
PubChem CID163733816
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-3-(methylamino)pent-2-en-2-ol
SMILESCC/C(NC)=C(\C)O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h7-8H,4H2,1-3H3/b6-5-
InChIKeyLBXAXFJPDIFLQC-WAYWQWQTSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(methylamino)pent-2-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 (Z)-3-(methylamino)pent-2-en-2-ol?
The IUPAC name of (Z)-3-(methylamino)pent-2-en-2-ol (CID 163733816) is (Z)-3-(methylamino)pent-2-en-2-ol.
What is the SMILES notation for (Z)-3-(methylamino)pent-2-en-2-ol?
The canonical SMILES for (Z)-3-(methylamino)pent-2-en-2-ol is CC/C(NC)=C(\C)O.
What is the InChIKey of (Z)-3-(methylamino)pent-2-en-2-ol?
The InChIKey is LBXAXFJPDIFLQC-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h7-8H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-(methylamino)pent-2-en-2-ol?
(Z)-3-(methylamino)pent-2-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)pent-2-en-2-ol is sourced from PubChem (CID 163733816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).