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

C6H12N2O2 — CID 173126708

IUPAC1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol
SMILESC=CCN(N)OC(O)C=C
InChIInChI=1S/C6H12N2O2/c1-3-5-8(7)10-6(9)4-2/h3-4,6,9H,1-2,5,7H2
InChIKeyNXXAWQBPBDJHJD-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.22
Rot. Bonds5

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

1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol (PubChem CID 173126708) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol.

Molecular Properties

Compound Name1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol
PubChem CID173126708
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol
SMILESC=CCN(N)OC(O)C=C
InChIInChI=1S/C6H12N2O2/c1-3-5-8(7)10-6(9)4-2/h3-4,6,9H,1-2,5,7H2
InChIKeyNXXAWQBPBDJHJD-UHFFFAOYSA-N
XLogP-0.22
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol?
The IUPAC name of 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol (CID 173126708) is 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol.
What is the SMILES notation for 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol?
The canonical SMILES for 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol is C=CCN(N)OC(O)C=C.
What is the InChIKey of 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol?
The InChIKey is NXXAWQBPBDJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5-8(7)10-6(9)4-2/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol?
1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol has a molecular weight of 144.17 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(prop-2-enyl)amino]oxyprop-2-en-1-ol is sourced from PubChem (CID 173126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).