1-hydroxyiminopropan-2-yl carbamate

C4H8N2O3 — CID 175483011

IUPAC1-hydroxyiminopropan-2-yl carbamate
SMILESCC(C=NO)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7)
InChIKeyBQKAHIMJNXWANT-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.07
Rot. Bonds2

About 1-hydroxyiminopropan-2-yl carbamate

1-hydroxyiminopropan-2-yl carbamate (PubChem CID 175483011) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1-hydroxyiminopropan-2-yl carbamate.

Molecular Properties

Compound Name1-hydroxyiminopropan-2-yl carbamate
PubChem CID175483011
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name1-hydroxyiminopropan-2-yl carbamate
SMILESCC(C=NO)OC(N)=O
InChIInChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7)
InChIKeyBQKAHIMJNXWANT-UHFFFAOYSA-N
XLogP-0.07
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxyiminopropan-2-yl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyiminopropan-2-yl carbamate?
The IUPAC name of 1-hydroxyiminopropan-2-yl carbamate (CID 175483011) is 1-hydroxyiminopropan-2-yl carbamate.
What is the SMILES notation for 1-hydroxyiminopropan-2-yl carbamate?
The canonical SMILES for 1-hydroxyiminopropan-2-yl carbamate is CC(C=NO)OC(N)=O.
What is the InChIKey of 1-hydroxyiminopropan-2-yl carbamate?
The InChIKey is BQKAHIMJNXWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-3(2-6-8)9-4(5)7/h2-3,8H,1H3,(H2,5,7).
What are the key properties of 1-hydroxyiminopropan-2-yl carbamate?
1-hydroxyiminopropan-2-yl carbamate has a molecular weight of 132.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyiminopropan-2-yl carbamate is sourced from PubChem (CID 175483011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).