5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C24H25NO4 — CID 19130861

IUPAC5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)c1
InChIInChI=1S/C24H25NO4/c1-4-5-6-10-28-17-9-7-8-16(13-17)20-19-21(26)18-12-14(2)11-15(3)22(18)29-23(19)24(27)25-20/h7-9,11-13,20H,4-6,10H2,1-3H3,(H,25,27)
InChIKeyMEBRJFGYPWWVFR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.81
Rot. Bonds6

About 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130861) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130861
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1cccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)c1
InChIInChI=1S/C24H25NO4/c1-4-5-6-10-28-17-9-7-8-16(13-17)20-19-21(26)18-12-14(2)11-15(3)22(18)29-23(19)24(27)25-20/h7-9,11-13,20H,4-6,10H2,1-3H3,(H,25,27)
InChIKeyMEBRJFGYPWWVFR-UHFFFAOYSA-N
XLogP4.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130848
2-(3-hydroxypropyl)-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880584
2-benzyl-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880971
2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881194
5,6-dimethyl-1-(3-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130805
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130706
7-bromo-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130602
1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
2-(2-hydroxyethyl)-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880544
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694
2-benzyl-5,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880966
5,7-dimethyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881014

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130861) is 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)c1.
What is the InChIKey of 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MEBRJFGYPWWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-5-6-10-28-17-9-7-8-16(13-17)20-19-21(26)18-12-14(2)11-15(3)22(18)29-23(19)24(27)25-20/h7-9,11-13,20H,4-6,10H2,1-3H3,(H,25,27).
What are the key properties of 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 391.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).