CID 14338055

C15H11NO2 — CID 14338055

IUPAC—
SMILESc1ccc2c(c1)C1(CO1)c1cccnc1C21CO1
InChIInChI=1S/C15H11NO2/c1-2-5-11-10(4-1)14(8-17-14)12-6-3-7-16-13(12)15(11)9-18-15/h1-7H,8-9H2
InChIKeyHDMKDOBQOLNDQE-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.94
Rot. Bonds

About CID 14338055

CID 14338055 (PubChem CID 14338055) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol.

Molecular Properties

Compound NameCID 14338055
PubChem CID14338055
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name—
SMILESc1ccc2c(c1)C1(CO1)c1cccnc1C21CO1
InChIInChI=1S/C15H11NO2/c1-2-5-11-10(4-1)14(8-17-14)12-6-3-7-16-13(12)15(11)9-18-15/h1-7H,8-9H2
InChIKeyHDMKDOBQOLNDQE-UHFFFAOYSA-N
XLogP1.94
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14338055?
The IUPAC name of CID 14338055 (CID 14338055) is not available.
What is the SMILES notation for CID 14338055?
The canonical SMILES for CID 14338055 is c1ccc2c(c1)C1(CO1)c1cccnc1C21CO1.
What is the InChIKey of CID 14338055?
The InChIKey is HDMKDOBQOLNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-2-5-11-10(4-1)14(8-17-14)12-6-3-7-16-13(12)15(11)9-18-15/h1-7H,8-9H2.
What are the key properties of CID 14338055?
CID 14338055 has a molecular weight of 237.26 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14338055 is sourced from PubChem (CID 14338055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).