cyclopenta[c][2,1]benzoxazine

C11H7NO — CID 70400701

IUPACcyclopenta[c][2,1]benzoxazine
SMILESc1cc2onc3ccccc3c-2c1
InChIInChI=1S/C11H7NO/c1-2-6-10-8(4-1)9-5-3-7-11(9)13-12-10/h1-7H
InChIKeyLRHPSBGKBOYRGY-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.93
Rot. Bonds

About cyclopenta[c][2,1]benzoxazine

cyclopenta[c][2,1]benzoxazine (PubChem CID 70400701) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is cyclopenta[c][2,1]benzoxazine.

Molecular Properties

Compound Namecyclopenta[c][2,1]benzoxazine
PubChem CID70400701
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Namecyclopenta[c][2,1]benzoxazine
SMILESc1cc2onc3ccccc3c-2c1
InChIInChI=1S/C11H7NO/c1-2-6-10-8(4-1)9-5-3-7-11(9)13-12-10/h1-7H
InChIKeyLRHPSBGKBOYRGY-UHFFFAOYSA-N
XLogP2.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[c][2,1]benzoxazine?
The IUPAC name of cyclopenta[c][2,1]benzoxazine (CID 70400701) is cyclopenta[c][2,1]benzoxazine.
What is the SMILES notation for cyclopenta[c][2,1]benzoxazine?
The canonical SMILES for cyclopenta[c][2,1]benzoxazine is c1cc2onc3ccccc3c-2c1.
What is the InChIKey of cyclopenta[c][2,1]benzoxazine?
The InChIKey is LRHPSBGKBOYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c1-2-6-10-8(4-1)9-5-3-7-11(9)13-12-10/h1-7H.
What are the key properties of cyclopenta[c][2,1]benzoxazine?
cyclopenta[c][2,1]benzoxazine has a molecular weight of 169.18 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[c][2,1]benzoxazine is sourced from PubChem (CID 70400701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).