2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21NO3 — CID 19113827

IUPAC2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H21NO3/c1-2-3-9-14-23-19(15-10-5-4-6-11-15)18-20(24)16-12-7-8-13-17(16)26-21(18)22(23)25/h4-8,10-13,19H,2-3,9,14H2,1H3
InChIKeyGZEHXYVWYBWWIV-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.53
Rot. Bonds5

About 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19113827) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19113827
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
InChIInChI=1S/C22H21NO3/c1-2-3-9-14-23-19(15-10-5-4-6-11-15)18-20(24)16-12-7-8-13-17(16)26-21(18)22(23)25/h4-8,10-13,19H,2-3,9,14H2,1H3
InChIKeyGZEHXYVWYBWWIV-UHFFFAOYSA-N
XLogP4.53
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
2-pentyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113842
methyl 4-(3,9-dioxo-2-pentyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19113859
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000
2-[(1S)-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium
CID 2014152
2-[3-(dibutylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702797
(1S)-1-(4-bromophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315461
(1S)-1-(4-ethylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315501
6-[(1S)-1-(4-methylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]hexanoic acid
CID 40849918
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
1-(4-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
(1R)-1-(3-butoxyphenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27350267

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19113827) is 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1.
What is the InChIKey of 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GZEHXYVWYBWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-2-3-9-14-23-19(15-10-5-4-6-11-15)18-20(24)16-12-7-8-13-17(16)26-21(18)22(23)25/h4-8,10-13,19H,2-3,9,14H2,1H3.
What are the key properties of 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 347.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19113827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).