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

C5H11NO — CID 87795969

IUPAC4-(methylamino)but-1-en-2-ol
SMILESC=C(O)CCNC
InChIInChI=1S/C5H11NO/c1-5(7)3-4-6-2/h6-7H,1,3-4H2,2H3
InChIKeyCSSOOTAFGCKTFI-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.67
Rot. Bonds3

About 4-(methylamino)but-1-en-2-ol

4-(methylamino)but-1-en-2-ol (PubChem CID 87795969) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-(methylamino)but-1-en-2-ol.

Molecular Properties

Compound Name4-(methylamino)but-1-en-2-ol
PubChem CID87795969
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-(methylamino)but-1-en-2-ol
SMILESC=C(O)CCNC
InChIInChI=1S/C5H11NO/c1-5(7)3-4-6-2/h6-7H,1,3-4H2,2H3
InChIKeyCSSOOTAFGCKTFI-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)but-1-en-2-ol?
The IUPAC name of 4-(methylamino)but-1-en-2-ol (CID 87795969) is 4-(methylamino)but-1-en-2-ol.
What is the SMILES notation for 4-(methylamino)but-1-en-2-ol?
The canonical SMILES for 4-(methylamino)but-1-en-2-ol is C=C(O)CCNC.
What is the InChIKey of 4-(methylamino)but-1-en-2-ol?
The InChIKey is CSSOOTAFGCKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7)3-4-6-2/h6-7H,1,3-4H2,2H3.
What are the key properties of 4-(methylamino)but-1-en-2-ol?
4-(methylamino)but-1-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)but-1-en-2-ol is sourced from PubChem (CID 87795969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).