(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

C24H19NO5 — CID 16579566

IUPAC(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C24H19NO5/c1-14-18-7-2-3-8-19(18)24(28)25(14)12-23(27)29-13-17-11-22(26)30-21-10-16-6-4-5-15(16)9-20(17)21/h2-3,7-11H,1,4-6,12-13H2
InChIKeySWQOOAQJIJQXQS-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.45
Rot. Bonds4

About (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (PubChem CID 16579566) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
PubChem CID16579566
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
SMILESC=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C24H19NO5/c1-14-18-7-2-3-8-19(18)24(28)25(14)12-23(27)29-13-17-11-22(26)30-21-10-16-6-4-5-15(16)9-20(17)21/h2-3,7-11H,1,4-6,12-13H2
InChIKeySWQOOAQJIJQXQS-UHFFFAOYSA-N
XLogP3.45
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione
CID 4825946
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309926
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 7759087
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl furan-2-carboxylate
CID 2627936
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2,6-dichlorobenzoate
CID 2629700
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl (2R)-2-phenylbutanoate
CID 7811290
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 41317750
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylbut-2-enoate
CID 16528469
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl adamantane-1-carboxylate
CID 7514478
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 1-methyl-2-oxopyridine-4-carboxylate
CID 55994947
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-(2-nitroanilino)propanoate
CID 55517902
(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603246

Frequently Asked Questions

What is the IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The IUPAC name of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate (CID 16579566) is (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate.
What is the SMILES notation for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The canonical SMILES for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is C=C1c2ccccc2C(=O)N1CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
The InChIKey is SWQOOAQJIJQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-14-18-7-2-3-8-19(18)24(28)25(14)12-23(27)29-13-17-11-22(26)30-21-10-16-6-4-5-15(16)9-20(17)21/h2-3,7-11H,1,4-6,12-13H2.
What are the key properties of (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate?
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate has a molecular weight of 401.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate is sourced from PubChem (CID 16579566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).