methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate

C20H25NO6 — CID 67521294

IUPACmethyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)N1CC2=C(Oc3c(OC)ccc(OC)c3C2)C1=O
InChIInChI=1S/C20H25NO6/c1-11(2)8-14(20(23)26-5)21-10-12-9-13-15(24-3)6-7-16(25-4)18(13)27-17(12)19(21)22/h6-7,11,14H,8-10H2,1-5H3
InChIKeyBQRSBLSIUQYGAA-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.32
Rot. Bonds6

About methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate

methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate (PubChem CID 67521294) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate
PubChem CID67521294
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Namemethyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)N1CC2=C(Oc3c(OC)ccc(OC)c3C2)C1=O
InChIInChI=1S/C20H25NO6/c1-11(2)8-14(20(23)26-5)21-10-12-9-13-15(24-3)6-7-16(25-4)18(13)27-17(12)19(21)22/h6-7,11,14H,8-10H2,1-5H3
InChIKeyBQRSBLSIUQYGAA-UHFFFAOYSA-N
XLogP2.32
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate?
The IUPAC name of methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate (CID 67521294) is methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate?
The canonical SMILES for methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate is COC(=O)C(CC(C)C)N1CC2=C(Oc3c(OC)ccc(OC)c3C2)C1=O.
What is the InChIKey of methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate?
The InChIKey is BQRSBLSIUQYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-11(2)8-14(20(23)26-5)21-10-12-9-13-15(24-3)6-7-16(25-4)18(13)27-17(12)19(21)22/h6-7,11,14H,8-10H2,1-5H3.
What are the key properties of methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate?
methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate has a molecular weight of 375.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate is sourced from PubChem (CID 67521294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).