1-(3-hydroxypropylamino)prop-1-en-2-ol

C6H13NO2 — CID 173462626

IUPAC1-(3-hydroxypropylamino)prop-1-en-2-ol
SMILESCC(O)=CNCCCO
InChIInChI=1S/C6H13NO2/c1-6(9)5-7-3-2-4-8/h5,7-9H,2-4H2,1H3
InChIKeyBTJBACYAGYQXCK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.38
Rot. Bonds4

About 1-(3-hydroxypropylamino)prop-1-en-2-ol

1-(3-hydroxypropylamino)prop-1-en-2-ol (PubChem CID 173462626) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(3-hydroxypropylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name1-(3-hydroxypropylamino)prop-1-en-2-ol
PubChem CID173462626
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-(3-hydroxypropylamino)prop-1-en-2-ol
SMILESCC(O)=CNCCCO
InChIInChI=1S/C6H13NO2/c1-6(9)5-7-3-2-4-8/h5,7-9H,2-4H2,1H3
InChIKeyBTJBACYAGYQXCK-UHFFFAOYSA-N
XLogP0.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropylamino)prop-1-en-2-ol?
The IUPAC name of 1-(3-hydroxypropylamino)prop-1-en-2-ol (CID 173462626) is 1-(3-hydroxypropylamino)prop-1-en-2-ol.
What is the SMILES notation for 1-(3-hydroxypropylamino)prop-1-en-2-ol?
The canonical SMILES for 1-(3-hydroxypropylamino)prop-1-en-2-ol is CC(O)=CNCCCO.
What is the InChIKey of 1-(3-hydroxypropylamino)prop-1-en-2-ol?
The InChIKey is BTJBACYAGYQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(9)5-7-3-2-4-8/h5,7-9H,2-4H2,1H3.
What are the key properties of 1-(3-hydroxypropylamino)prop-1-en-2-ol?
1-(3-hydroxypropylamino)prop-1-en-2-ol has a molecular weight of 131.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylamino)prop-1-en-2-ol is sourced from PubChem (CID 173462626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).