CID 101482391

C3H7N2O2 — CID 101482391

IUPAC—
SMILES[CH2]N(N)C(=O)OC
InChIInChI=1S/C3H7N2O2/c1-5(4)3(6)7-2/h1,4H2,2H3
InChIKeyKXIBAOACFRORRD-UHFFFAOYSA-N
MW103.10 g/mol
LogP-0.28
Rot. Bonds

About CID 101482391

CID 101482391 (PubChem CID 101482391) has the molecular formula C3H7N2O2 and a molecular weight of 103.10 g/mol.

Molecular Properties

Compound NameCID 101482391
PubChem CID101482391
Molecular FormulaC3H7N2O2
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC Name—
SMILES[CH2]N(N)C(=O)OC
InChIInChI=1S/C3H7N2O2/c1-5(4)3(6)7-2/h1,4H2,2H3
InChIKeyKXIBAOACFRORRD-UHFFFAOYSA-N
XLogP-0.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 CID 101482391?
The IUPAC name of CID 101482391 (CID 101482391) is not available.
What is the SMILES notation for CID 101482391?
The canonical SMILES for CID 101482391 is [CH2]N(N)C(=O)OC.
What is the InChIKey of CID 101482391?
The InChIKey is KXIBAOACFRORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O2/c1-5(4)3(6)7-2/h1,4H2,2H3.
What are the key properties of CID 101482391?
CID 101482391 has a molecular weight of 103.10 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101482391 is sourced from PubChem (CID 101482391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).