CID 11850327

C13H21N2O — CID 11850327

IUPAC—
SMILESCC12CCCCC1=NC1(CCCCC1)N2[O]
InChIInChI=1S/C13H21N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h2-10H2,1H3
InChIKeyUAUGHCLOHFTJCH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.08
Rot. Bonds

About CID 11850327

CID 11850327 (PubChem CID 11850327) has the molecular formula C13H21N2O and a molecular weight of 221.32 g/mol.

Molecular Properties

Compound NameCID 11850327
PubChem CID11850327
Molecular FormulaC13H21N2O
Molecular Weight221.32 g/mol
Exact Mass221.17
IUPAC Name—
SMILESCC12CCCCC1=NC1(CCCCC1)N2[O]
InChIInChI=1S/C13H21N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h2-10H2,1H3
InChIKeyUAUGHCLOHFTJCH-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 11850327 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 11850327?
The IUPAC name of CID 11850327 (CID 11850327) is not available.
What is the SMILES notation for CID 11850327?
The canonical SMILES for CID 11850327 is CC12CCCCC1=NC1(CCCCC1)N2[O].
What is the InChIKey of CID 11850327?
The InChIKey is UAUGHCLOHFTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N2O/c1-12-8-6-3-7-11(12)14-13(15(12)16)9-4-2-5-10-13/h2-10H2,1H3.
What are the key properties of CID 11850327?
CID 11850327 has a molecular weight of 221.32 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11850327 is sourced from PubChem (CID 11850327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).