CID 58998088

C11H19NO — CID 58998088

IUPAC—
SMILES[CH]C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19NO/c1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h1H,2-10H2
InChIKeyPTIPRZAMBFEUHS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds1

About CID 58998088

CID 58998088 (PubChem CID 58998088) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol.

Molecular Properties

Compound NameCID 58998088
PubChem CID58998088
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name—
SMILES[CH]C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19NO/c1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h1H,2-10H2
InChIKeyPTIPRZAMBFEUHS-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 58998088 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 58998088?
The IUPAC name of CID 58998088 (CID 58998088) is not available.
What is the SMILES notation for CID 58998088?
The canonical SMILES for CID 58998088 is [CH]C1(N2CCOCC2)CCCCC1.
What is the InChIKey of CID 58998088?
The InChIKey is PTIPRZAMBFEUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(5-3-2-4-6-11)12-7-9-13-10-8-12/h1H,2-10H2.
What are the key properties of CID 58998088?
CID 58998088 has a molecular weight of 181.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998088 is sourced from PubChem (CID 58998088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).