1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol

C6H11NO3 — CID 87731926

IUPAC1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol
SMILESC=CC(O)N(O)C(O)C=C
InChIInChI=1S/C6H11NO3/c1-3-5(8)7(10)6(9)4-2/h3-6,8-10H,1-2H2
InChIKeyLKKHJQCPZRQWGL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds4

About 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol

1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol (PubChem CID 87731926) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol
PubChem CID87731926
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol
SMILESC=CC(O)N(O)C(O)C=C
InChIInChI=1S/C6H11NO3/c1-3-5(8)7(10)6(9)4-2/h3-6,8-10H,1-2H2
InChIKeyLKKHJQCPZRQWGL-UHFFFAOYSA-N
XLogP-0.31
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol?
The IUPAC name of 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol (CID 87731926) is 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol?
The canonical SMILES for 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol is C=CC(O)N(O)C(O)C=C.
What is the InChIKey of 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol?
The InChIKey is LKKHJQCPZRQWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(8)7(10)6(9)4-2/h3-6,8-10H,1-2H2.
What are the key properties of 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol?
1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol has a molecular weight of 145.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(1-hydroxyprop-2-enyl)amino]prop-2-en-1-ol is sourced from PubChem (CID 87731926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).