CID 52934986

C12H22NO2 — CID 52934986

IUPAC—
SMILESCCCCC1(C)CC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C12H22NO2/c1-5-6-7-12(4)9-10(14)8-11(2,3)13(12)15/h5-9H2,1-4H3
InChIKeyVFVXPHNMQMIGEV-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.72
Rot. Bonds3

About CID 52934986

CID 52934986 (PubChem CID 52934986) has the molecular formula C12H22NO2 and a molecular weight of 212.31 g/mol.

Molecular Properties

Compound NameCID 52934986
PubChem CID52934986
Molecular FormulaC12H22NO2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name—
SMILESCCCCC1(C)CC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C12H22NO2/c1-5-6-7-12(4)9-10(14)8-11(2,3)13(12)15/h5-9H2,1-4H3
InChIKeyVFVXPHNMQMIGEV-UHFFFAOYSA-N
XLogP2.72
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 52934986 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 52934986?
The IUPAC name of CID 52934986 (CID 52934986) is not available.
What is the SMILES notation for CID 52934986?
The canonical SMILES for CID 52934986 is CCCCC1(C)CC(=O)CC(C)(C)N1[O].
What is the InChIKey of CID 52934986?
The InChIKey is VFVXPHNMQMIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2/c1-5-6-7-12(4)9-10(14)8-11(2,3)13(12)15/h5-9H2,1-4H3.
What are the key properties of CID 52934986?
CID 52934986 has a molecular weight of 212.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 52934986 is sourced from PubChem (CID 52934986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).