(3R)-3-(methylamino)but-1-en-2-ol

C5H11NO — CID 59247912

IUPAC(3R)-3-(methylamino)but-1-en-2-ol
SMILESC=C(O)[C@@H](C)NC
InChIInChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6-7H,2H2,1,3H3/t4-/m1/s1
InChIKeyLFDZLEXCEGRMIV-SCSAIBSYSA-N
MW101.15 g/mol
LogP0.67
Rot. Bonds2

About (3R)-3-(methylamino)but-1-en-2-ol

(3R)-3-(methylamino)but-1-en-2-ol (PubChem CID 59247912) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (3R)-3-(methylamino)but-1-en-2-ol.

Molecular Properties

Compound Name(3R)-3-(methylamino)but-1-en-2-ol
PubChem CID59247912
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(3R)-3-(methylamino)but-1-en-2-ol
SMILESC=C(O)[C@@H](C)NC
InChIInChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6-7H,2H2,1,3H3/t4-/m1/s1
InChIKeyLFDZLEXCEGRMIV-SCSAIBSYSA-N
XLogP0.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-(methylamino)but-1-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 (3R)-3-(methylamino)but-1-en-2-ol?
The IUPAC name of (3R)-3-(methylamino)but-1-en-2-ol (CID 59247912) is (3R)-3-(methylamino)but-1-en-2-ol.
What is the SMILES notation for (3R)-3-(methylamino)but-1-en-2-ol?
The canonical SMILES for (3R)-3-(methylamino)but-1-en-2-ol is C=C(O)[C@@H](C)NC.
What is the InChIKey of (3R)-3-(methylamino)but-1-en-2-ol?
The InChIKey is LFDZLEXCEGRMIV-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6-7H,2H2,1,3H3/t4-/m1/s1.
What are the key properties of (3R)-3-(methylamino)but-1-en-2-ol?
(3R)-3-(methylamino)but-1-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)but-1-en-2-ol is sourced from PubChem (CID 59247912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).