CID 102427150

C3H6NO2 — CID 102427150

IUPAC—
SMILESCC(=O)N(C)[O]
InChIInChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3
InChIKeyZEPWBSLZBYGDNO-UHFFFAOYSA-N
MW88.09 g/mol
LogP-0.19
Rot. Bonds

About CID 102427150

CID 102427150 (PubChem CID 102427150) has the molecular formula C3H6NO2 and a molecular weight of 88.09 g/mol.

Molecular Properties

Compound NameCID 102427150
PubChem CID102427150
Molecular FormulaC3H6NO2
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC Name—
SMILESCC(=O)N(C)[O]
InChIInChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3
InChIKeyZEPWBSLZBYGDNO-UHFFFAOYSA-N
XLogP-0.19
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102427150?
The IUPAC name of CID 102427150 (CID 102427150) is not available.
What is the SMILES notation for CID 102427150?
The canonical SMILES for CID 102427150 is CC(=O)N(C)[O].
What is the InChIKey of CID 102427150?
The InChIKey is ZEPWBSLZBYGDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2/c1-3(5)4(2)6/h1-2H3.
What are the key properties of CID 102427150?
CID 102427150 has a molecular weight of 88.09 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102427150 is sourced from PubChem (CID 102427150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).