4-aminopent-1-en-2-ol;ethane

C7H17NO — CID 144955296

IUPAC4-aminopent-1-en-2-ol;ethane
SMILESC=C(O)CC(C)N.CC
InChIInChI=1S/C5H11NO.C2H6/c1-4(6)3-5(2)7;1-2/h4,7H,2-3,6H2,1H3;1-2H3
InChIKeyAZUJTPJEXMMKJO-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.82
Rot. Bonds2

About 4-aminopent-1-en-2-ol;ethane

4-aminopent-1-en-2-ol;ethane (PubChem CID 144955296) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-aminopent-1-en-2-ol;ethane.

Molecular Properties

Compound Name4-aminopent-1-en-2-ol;ethane
PubChem CID144955296
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-aminopent-1-en-2-ol;ethane
SMILESC=C(O)CC(C)N.CC
InChIInChI=1S/C5H11NO.C2H6/c1-4(6)3-5(2)7;1-2/h4,7H,2-3,6H2,1H3;1-2H3
InChIKeyAZUJTPJEXMMKJO-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.82
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-aminopent-1-en-2-ol;ethane?
The IUPAC name of 4-aminopent-1-en-2-ol;ethane (CID 144955296) is 4-aminopent-1-en-2-ol;ethane.
What is the SMILES notation for 4-aminopent-1-en-2-ol;ethane?
The canonical SMILES for 4-aminopent-1-en-2-ol;ethane is C=C(O)CC(C)N.CC.
What is the InChIKey of 4-aminopent-1-en-2-ol;ethane?
The InChIKey is AZUJTPJEXMMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-4(6)3-5(2)7;1-2/h4,7H,2-3,6H2,1H3;1-2H3.
What are the key properties of 4-aminopent-1-en-2-ol;ethane?
4-aminopent-1-en-2-ol;ethane has a molecular weight of 131.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopent-1-en-2-ol;ethane is sourced from PubChem (CID 144955296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).