CID 57418086

C5H6NO — CID 57418086

IUPAC—
SMILESCc1[c]c(C)on1
InChIInChI=1S/C5H6NO/c1-4-3-5(2)7-6-4/h1-2H3
InChIKeyCRKRQXXHVLRBQG-UHFFFAOYSA-N
MW96.11 g/mol
LogP1.09
Rot. Bonds

About CID 57418086

CID 57418086 (PubChem CID 57418086) has the molecular formula C5H6NO and a molecular weight of 96.11 g/mol.

Molecular Properties

Compound NameCID 57418086
PubChem CID57418086
Molecular FormulaC5H6NO
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Name—
SMILESCc1[c]c(C)on1
InChIInChI=1S/C5H6NO/c1-4-3-5(2)7-6-4/h1-2H3
InChIKeyCRKRQXXHVLRBQG-UHFFFAOYSA-N
XLogP1.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 57418086 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 57418086?
The IUPAC name of CID 57418086 (CID 57418086) is not available.
What is the SMILES notation for CID 57418086?
The canonical SMILES for CID 57418086 is Cc1[c]c(C)on1.
What is the InChIKey of CID 57418086?
The InChIKey is CRKRQXXHVLRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO/c1-4-3-5(2)7-6-4/h1-2H3.
What are the key properties of CID 57418086?
CID 57418086 has a molecular weight of 96.11 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57418086 is sourced from PubChem (CID 57418086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).