1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H31NO4 — CID 19113855

IUPAC1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1
InChIInChI=1S/C27H31NO4/c1-3-5-9-17-28-24(19-13-15-20(16-14-19)31-18-10-6-4-2)23-25(29)21-11-7-8-12-22(21)32-26(23)27(28)30/h7-8,11-16,24H,3-6,9-10,17-18H2,1-2H3
InChIKeyVCOCUFZIQKMKCV-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.10
Rot. Bonds10

About 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19113855) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19113855
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1
InChIInChI=1S/C27H31NO4/c1-3-5-9-17-28-24(19-13-15-20(16-14-19)31-18-10-6-4-2)23-25(29)21-11-7-8-12-22(21)32-26(23)27(28)30/h7-8,11-16,24H,3-6,9-10,17-18H2,1-2H3
InChIKeyVCOCUFZIQKMKCV-UHFFFAOYSA-N
XLogP6.10
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
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-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
(1S)-1-(4-butoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865713
1-(4-butoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709206
(1R)-1-(4-butoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2213890
methyl 4-(3,9-dioxo-2-pentyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19113859
1-(4-pentoxyphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113890
(1R)-1-(3-butoxyphenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27350267
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
1-(4-pentoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819123
2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 27308937
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19113855) is 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCCC)cc1.
What is the InChIKey of 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VCOCUFZIQKMKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-3-5-9-17-28-24(19-13-15-20(16-14-19)31-18-10-6-4-2)23-25(29)21-11-7-8-12-22(21)32-26(23)27(28)30/h7-8,11-16,24H,3-6,9-10,17-18H2,1-2H3.
What are the key properties of 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 433.55 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19113855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).