(E)-1-aminopent-3-en-2-ol

C5H11NO — CID 13123254

IUPAC(E)-1-aminopent-3-en-2-ol
SMILESC/C=C/C(O)CN
InChIInChI=1S/C5H11NO/c1-2-3-5(7)4-6/h2-3,5,7H,4,6H2,1H3/b3-2+
InChIKeyKBYJBEASOPKUNG-NSCUHMNNSA-N
MW101.15 g/mol
LogP-0.12
Rot. Bonds2

About (E)-1-aminopent-3-en-2-ol

(E)-1-aminopent-3-en-2-ol (PubChem CID 13123254) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-1-aminopent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-aminopent-3-en-2-ol
PubChem CID13123254
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-1-aminopent-3-en-2-ol
SMILESC/C=C/C(O)CN
InChIInChI=1S/C5H11NO/c1-2-3-5(7)4-6/h2-3,5,7H,4,6H2,1H3/b3-2+
InChIKeyKBYJBEASOPKUNG-NSCUHMNNSA-N
XLogP-0.12
TPSA46.25 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 ≤ 5-0.12
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 (E)-1-aminopent-3-en-2-ol?
The IUPAC name of (E)-1-aminopent-3-en-2-ol (CID 13123254) is (E)-1-aminopent-3-en-2-ol.
What is the SMILES notation for (E)-1-aminopent-3-en-2-ol?
The canonical SMILES for (E)-1-aminopent-3-en-2-ol is C/C=C/C(O)CN.
What is the InChIKey of (E)-1-aminopent-3-en-2-ol?
The InChIKey is KBYJBEASOPKUNG-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-5(7)4-6/h2-3,5,7H,4,6H2,1H3/b3-2+.
What are the key properties of (E)-1-aminopent-3-en-2-ol?
(E)-1-aminopent-3-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-aminopent-3-en-2-ol is sourced from PubChem (CID 13123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).