7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C22H21NO3 — CID 19130663

IUPAC7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)NC3=O
InChIInChI=1S/C22H21NO3/c1-4-13-5-10-17-16(11-13)20(24)18-19(23-22(25)21(18)26-17)15-8-6-14(7-9-15)12(2)3/h5-12,19H,4H2,1-3H3,(H,23,25)
InChIKeyRORIUGFULGDNLO-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.31
Rot. Bonds3

About 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130663) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130663
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)NC3=O
InChIInChI=1S/C22H21NO3/c1-4-13-5-10-17-16(11-13)20(24)18-19(23-22(25)21(18)26-17)15-8-6-14(7-9-15)12(2)3/h5-12,19H,4H2,1-3H3,(H,23,25)
InChIKeyRORIUGFULGDNLO-UHFFFAOYSA-N
XLogP4.31
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2037154
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-ethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130661
7-chloro-1-(4-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130475
7-fluoro-1-(4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130533
1-(4-butoxyphenyl)-7-fluoro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130534
7-fluoro-1-(4-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4859307
7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130508
1-(4-bromophenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130677
1-(4-butoxyphenyl)-7-chloro-6-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130688
1-(4-butoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130385
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
7-chloro-6-methyl-1-(4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130694

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130663) is 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)NC3=O.
What is the InChIKey of 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RORIUGFULGDNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-4-13-5-10-17-16(11-13)20(24)18-19(23-22(25)21(18)26-17)15-8-6-14(7-9-15)12(2)3/h5-12,19H,4H2,1-3H3,(H,23,25).
What are the key properties of 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 347.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(4-propan-2-ylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).