2-iminopropan-1-ol

C3H7NO — CID 20580277

IUPAC2-iminopropan-1-ol
SMILES[H]/N=C(\C)CO
InChIInChI=1S/C3H7NO/c1-3(4)2-5/h4-5H,2H2,1H3/b4-3+
InChIKeyIGCPCAOIUXKSJI-ONEGZZNKSA-N
MW73.09 g/mol
LogP0.02
Rot. Bonds1

About 2-iminopropan-1-ol

2-iminopropan-1-ol (PubChem CID 20580277) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is 2-iminopropan-1-ol.

Molecular Properties

Compound Name2-iminopropan-1-ol
PubChem CID20580277
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC Name2-iminopropan-1-ol
SMILES[H]/N=C(\C)CO
InChIInChI=1S/C3H7NO/c1-3(4)2-5/h4-5H,2H2,1H3/b4-3+
InChIKeyIGCPCAOIUXKSJI-ONEGZZNKSA-N
XLogP0.02
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iminopropan-1-ol?
The IUPAC name of 2-iminopropan-1-ol (CID 20580277) is 2-iminopropan-1-ol.
What is the SMILES notation for 2-iminopropan-1-ol?
The canonical SMILES for 2-iminopropan-1-ol is [H]/N=C(\C)CO.
What is the InChIKey of 2-iminopropan-1-ol?
The InChIKey is IGCPCAOIUXKSJI-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7NO/c1-3(4)2-5/h4-5H,2H2,1H3/b4-3+.
What are the key properties of 2-iminopropan-1-ol?
2-iminopropan-1-ol has a molecular weight of 73.09 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopropan-1-ol is sourced from PubChem (CID 20580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).