3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C19H23NO3 — CID 7680075

IUPAC3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3
InChIInChI=1S/C19H23NO3/c1-3-13-9-17(21)23-19-12(2)18-14(8-16(13)19)10-20(11-22-18)15-6-4-5-7-15/h8-9,15H,3-7,10-11H2,1-2H3
InChIKeyJOAKPEPLXRSPCZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.76
Rot. Bonds2

About 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 7680075) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID7680075
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3
InChIInChI=1S/C19H23NO3/c1-3-13-9-17(21)23-19-12(2)18-14(8-16(13)19)10-20(11-22-18)15-6-4-5-7-15/h8-9,15H,3-7,10-11H2,1-2H3
InChIKeyJOAKPEPLXRSPCZ-UHFFFAOYSA-N
XLogP3.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 7680075) is 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is CCc1cc(=O)oc2c(C)c3c(cc12)CN(C1CCCC1)CO3.
What is the InChIKey of 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is JOAKPEPLXRSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-13-9-17(21)23-19-12(2)18-14(8-16(13)19)10-20(11-22-18)15-6-4-5-7-15/h8-9,15H,3-7,10-11H2,1-2H3.
What are the key properties of 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 313.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 7680075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).