2-aminopent-1-en-1-ol

C5H11NO — CID 150603438

IUPAC2-aminopent-1-en-1-ol
SMILESCCCC(N)=CO
InChIInChI=1S/C5H11NO/c1-2-3-5(6)4-7/h4,7H,2-3,6H2,1H3
InChIKeyISJLMBSHSZLNFD-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.14
Rot. Bonds2

About 2-aminopent-1-en-1-ol

2-aminopent-1-en-1-ol (PubChem CID 150603438) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-aminopent-1-en-1-ol.

Molecular Properties

Compound Name2-aminopent-1-en-1-ol
PubChem CID150603438
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-aminopent-1-en-1-ol
SMILESCCCC(N)=CO
InChIInChI=1S/C5H11NO/c1-2-3-5(6)4-7/h4,7H,2-3,6H2,1H3
InChIKeyISJLMBSHSZLNFD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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 2-aminopent-1-en-1-ol?
The IUPAC name of 2-aminopent-1-en-1-ol (CID 150603438) is 2-aminopent-1-en-1-ol.
What is the SMILES notation for 2-aminopent-1-en-1-ol?
The canonical SMILES for 2-aminopent-1-en-1-ol is CCCC(N)=CO.
What is the InChIKey of 2-aminopent-1-en-1-ol?
The InChIKey is ISJLMBSHSZLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-5(6)4-7/h4,7H,2-3,6H2,1H3.
What are the key properties of 2-aminopent-1-en-1-ol?
2-aminopent-1-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-1-en-1-ol is sourced from PubChem (CID 150603438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).