2-aminopent-4-ene-1,1-diol

C5H11NO2 — CID 88796838

IUPAC2-aminopent-4-ene-1,1-diol
SMILESC=CCC(N)C(O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h2,4-5,7-8H,1,3,6H2
InChIKeyPTLIFDXMWKTAPY-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.80
Rot. Bonds3

About 2-aminopent-4-ene-1,1-diol

2-aminopent-4-ene-1,1-diol (PubChem CID 88796838) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-aminopent-4-ene-1,1-diol.

Molecular Properties

Compound Name2-aminopent-4-ene-1,1-diol
PubChem CID88796838
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-aminopent-4-ene-1,1-diol
SMILESC=CCC(N)C(O)O
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h2,4-5,7-8H,1,3,6H2
InChIKeyPTLIFDXMWKTAPY-UHFFFAOYSA-N
XLogP-0.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminopent-4-ene-1,1-diol?
The IUPAC name of 2-aminopent-4-ene-1,1-diol (CID 88796838) is 2-aminopent-4-ene-1,1-diol.
What is the SMILES notation for 2-aminopent-4-ene-1,1-diol?
The canonical SMILES for 2-aminopent-4-ene-1,1-diol is C=CCC(N)C(O)O.
What is the InChIKey of 2-aminopent-4-ene-1,1-diol?
The InChIKey is PTLIFDXMWKTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h2,4-5,7-8H,1,3,6H2.
What are the key properties of 2-aminopent-4-ene-1,1-diol?
2-aminopent-4-ene-1,1-diol has a molecular weight of 117.15 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-ene-1,1-diol is sourced from PubChem (CID 88796838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).