1-amino-2-prop-2-enylpent-4-en-1-ol

C8H15NO — CID 87199237

IUPAC1-amino-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CC=C)C(N)O
InChIInChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyUNCILYQIYAZZIV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.03
Rot. Bonds5

About 1-amino-2-prop-2-enylpent-4-en-1-ol

1-amino-2-prop-2-enylpent-4-en-1-ol (PubChem CID 87199237) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-amino-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name1-amino-2-prop-2-enylpent-4-en-1-ol
PubChem CID87199237
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-amino-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CC=C)C(N)O
InChIInChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyUNCILYQIYAZZIV-UHFFFAOYSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 1-amino-2-prop-2-enylpent-4-en-1-ol (CID 87199237) is 1-amino-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 1-amino-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 1-amino-2-prop-2-enylpent-4-en-1-ol is C=CCC(CC=C)C(N)O.
What is the InChIKey of 1-amino-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is UNCILYQIYAZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7(6-4-2)8(9)10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 1-amino-2-prop-2-enylpent-4-en-1-ol?
1-amino-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 87199237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).