3-cyclopentyl-1,3-benzoxazine-2,4-dione

C13H13NO3 — CID 10331456

IUPAC3-cyclopentyl-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C13H13NO3/c15-12-10-7-3-4-8-11(10)17-13(16)14(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyYFGRQNUSAFNYMO-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.07
Rot. Bonds1

About 3-cyclopentyl-1,3-benzoxazine-2,4-dione

3-cyclopentyl-1,3-benzoxazine-2,4-dione (PubChem CID 10331456) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-cyclopentyl-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-1,3-benzoxazine-2,4-dione
PubChem CID10331456
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-cyclopentyl-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C13H13NO3/c15-12-10-7-3-4-8-11(10)17-13(16)14(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyYFGRQNUSAFNYMO-UHFFFAOYSA-N
XLogP2.07
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,3-benzoxazine-2,4-dione?
The IUPAC name of 3-cyclopentyl-1,3-benzoxazine-2,4-dione (CID 10331456) is 3-cyclopentyl-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-1,3-benzoxazine-2,4-dione is O=c1oc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-1,3-benzoxazine-2,4-dione?
The InChIKey is YFGRQNUSAFNYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-10-7-3-4-8-11(10)17-13(16)14(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 3-cyclopentyl-1,3-benzoxazine-2,4-dione?
3-cyclopentyl-1,3-benzoxazine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 10331456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).