(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate

C15H13NO5 — CID 101358950

IUPAC(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate
SMILESCC(=O)OCc1ccc2cc(OC(C)=O)c(=O)ccc2n1
InChIInChI=1S/C15H13NO5/c1-9(17)20-8-12-4-3-11-7-15(21-10(2)18)14(19)6-5-13(11)16-12/h3-7H,8H2,1-2H3
InChIKeyFSBWXHVLDSKIOP-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.58
Rot. Bonds3

About (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate

(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate (PubChem CID 101358950) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate.

Molecular Properties

Compound Name(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate
PubChem CID101358950
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate
SMILESCC(=O)OCc1ccc2cc(OC(C)=O)c(=O)ccc2n1
InChIInChI=1S/C15H13NO5/c1-9(17)20-8-12-4-3-11-7-15(21-10(2)18)14(19)6-5-13(11)16-12/h3-7H,8H2,1-2H3
InChIKeyFSBWXHVLDSKIOP-UHFFFAOYSA-N
XLogP1.58
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381
(4-amino-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 71339719
(2-chloroquinolin-3-yl) acetate
CID 175423972
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
3,4-diphenyl-4-(quinolin-2-ylmethoxy)but-3-en-2-one
CID 67124565
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(2-acetyloxyphenyl)methyl acetate
CID 10889107
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
(2-chloropyrimidin-4-yl)methyl acetate
CID 121394527

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate?
The IUPAC name of (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate (CID 101358950) is (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate.
What is the SMILES notation for (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate?
The canonical SMILES for (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate is CC(=O)OCc1ccc2cc(OC(C)=O)c(=O)ccc2n1.
What is the InChIKey of (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate?
The InChIKey is FSBWXHVLDSKIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9(17)20-8-12-4-3-11-7-15(21-10(2)18)14(19)6-5-13(11)16-12/h3-7H,8H2,1-2H3.
What are the key properties of (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate?
(6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate has a molecular weight of 287.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-7-oxocyclohepta[b]pyridin-2-yl)methyl acetate is sourced from PubChem (CID 101358950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).