2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione

C19H13NO4 — CID 2565931

IUPAC2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc2c(CN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1
InChIInChI=1S/C19H13NO4/c1-11-6-7-13-12(9-17(21)24-16(13)8-11)10-20-18(22)14-4-2-3-5-15(14)19(20)23/h2-9H,10H2,1H3
InChIKeyWFJJQWZHRSUNSD-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.90
Rot. Bonds2

About 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione

2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione (PubChem CID 2565931) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
PubChem CID2565931
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
SMILESCc1ccc2c(CN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1
InChIInChI=1S/C19H13NO4/c1-11-6-7-13-12(9-17(21)24-16(13)8-11)10-20-18(22)14-4-2-3-5-15(14)19(20)23/h2-9H,10H2,1H3
InChIKeyWFJJQWZHRSUNSD-UHFFFAOYSA-N
XLogP2.90
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 24766011
CID 24766011
CID 119652
CID 119652
CID 448384
CID 448384
CID 973136
CID 973136
CID 748433
CID 748433
CID 1554692
CID 1554692
CID 728514
CID 728514
CID 733522
CID 733522
CID 2193449
CID 2193449
CID 2937346
CID 2937346
CID 249759
CID 249759
CID 753410
CID 753410

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione (CID 2565931) is 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione is Cc1ccc2c(CN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1.
What is the InChIKey of 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is WFJJQWZHRSUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-11-6-7-13-12(9-17(21)24-16(13)8-11)10-20-18(22)14-4-2-3-5-15(14)19(20)23/h2-9H,10H2,1H3.
What are the key properties of 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione?
2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 319.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2565931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).