CID 58544170

C5H8NO2 — CID 58544170

IUPAC—
SMILES[CH2]OCC1=NOCC1
InChIInChI=1S/C5H8NO2/c1-7-4-5-2-3-8-6-5/h1-4H2
InChIKeySUJQETXJQRHELO-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.57
Rot. Bonds2

About CID 58544170

CID 58544170 (PubChem CID 58544170) has the molecular formula C5H8NO2 and a molecular weight of 114.12 g/mol.

Molecular Properties

Compound NameCID 58544170
PubChem CID58544170
Molecular FormulaC5H8NO2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name—
SMILES[CH2]OCC1=NOCC1
InChIInChI=1S/C5H8NO2/c1-7-4-5-2-3-8-6-5/h1-4H2
InChIKeySUJQETXJQRHELO-UHFFFAOYSA-N
XLogP0.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 58544170 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 CID 58544170?
The IUPAC name of CID 58544170 (CID 58544170) is not available.
What is the SMILES notation for CID 58544170?
The canonical SMILES for CID 58544170 is [CH2]OCC1=NOCC1.
What is the InChIKey of CID 58544170?
The InChIKey is SUJQETXJQRHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2/c1-7-4-5-2-3-8-6-5/h1-4H2.
What are the key properties of CID 58544170?
CID 58544170 has a molecular weight of 114.12 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544170 is sourced from PubChem (CID 58544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).