CID 59360341

C14H21NO2P — CID 59360341

IUPAC—
SMILESCC1(C)CP(=O)(c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C14H21NO2P/c1-13(2)10-18(17,11-14(3,4)15(13)16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyPQKOEODFLBOAKK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.89
Rot. Bonds1

About CID 59360341

CID 59360341 (PubChem CID 59360341) has the molecular formula C14H21NO2P and a molecular weight of 266.30 g/mol.

Molecular Properties

Compound NameCID 59360341
PubChem CID59360341
Molecular FormulaC14H21NO2P
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name—
SMILESCC1(C)CP(=O)(c2ccccc2)CC(C)(C)N1[O]
InChIInChI=1S/C14H21NO2P/c1-13(2)10-18(17,11-14(3,4)15(13)16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyPQKOEODFLBOAKK-UHFFFAOYSA-N
XLogP2.89
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 59360341 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 59360341?
The IUPAC name of CID 59360341 (CID 59360341) is not available.
What is the SMILES notation for CID 59360341?
The canonical SMILES for CID 59360341 is CC1(C)CP(=O)(c2ccccc2)CC(C)(C)N1[O].
What is the InChIKey of CID 59360341?
The InChIKey is PQKOEODFLBOAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2P/c1-13(2)10-18(17,11-14(3,4)15(13)16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of CID 59360341?
CID 59360341 has a molecular weight of 266.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59360341 is sourced from PubChem (CID 59360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).