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

C5H11NO — CID 11007829

IUPAC2-(methylamino)but-3-en-1-ol
SMILESC=CC(CO)NC
InChIInChI=1S/C5H11NO/c1-3-5(4-7)6-2/h3,5-7H,1,4H2,2H3
InChIKeyAMGFPPWDVKVTBB-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.25
Rot. Bonds3

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

2-(methylamino)but-3-en-1-ol (PubChem CID 11007829) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(methylamino)but-3-en-1-ol.

Molecular Properties

Compound Name2-(methylamino)but-3-en-1-ol
PubChem CID11007829
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-(methylamino)but-3-en-1-ol
SMILESC=CC(CO)NC
InChIInChI=1S/C5H11NO/c1-3-5(4-7)6-2/h3,5-7H,1,4H2,2H3
InChIKeyAMGFPPWDVKVTBB-UHFFFAOYSA-N
XLogP-0.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)but-3-en-1-ol?
The IUPAC name of 2-(methylamino)but-3-en-1-ol (CID 11007829) is 2-(methylamino)but-3-en-1-ol.
What is the SMILES notation for 2-(methylamino)but-3-en-1-ol?
The canonical SMILES for 2-(methylamino)but-3-en-1-ol is C=CC(CO)NC.
What is the InChIKey of 2-(methylamino)but-3-en-1-ol?
The InChIKey is AMGFPPWDVKVTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(4-7)6-2/h3,5-7H,1,4H2,2H3.
What are the key properties of 2-(methylamino)but-3-en-1-ol?
2-(methylamino)but-3-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)but-3-en-1-ol is sourced from PubChem (CID 11007829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).