(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23NO3 — CID 40871664

IUPAC(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C23H23NO3/c1-4-5-12-24-20(16-9-6-14(2)7-10-16)19-21(25)17-11-8-15(3)13-18(17)27-22(19)23(24)26/h6-11,13,20H,4-5,12H2,1-3H3/t20-/m1/s1
InChIKeyQLMNRCOOOIZOHU-HXUWFJFHSA-N
MW361.44 g/mol
LogP4.76
Rot. Bonds4

About (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40871664) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40871664
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C23H23NO3/c1-4-5-12-24-20(16-9-6-14(2)7-10-16)19-21(25)17-11-8-15(3)13-18(17)27-22(19)23(24)26/h6-11,13,20H,4-5,12H2,1-3H3/t20-/m1/s1
InChIKeyQLMNRCOOOIZOHU-HXUWFJFHSA-N
XLogP4.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-7-methyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41201797
(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871849
2-[3-(dibutylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702797
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
(1R)-6-methyl-1-(4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40871611
7-bromo-2-(3-hydroxypropyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3457590
1-(4-butoxyphenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820090
6-[(1S)-1-(4-methylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]hexanoic acid
CID 40849918
2-butyl-1-(4-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880742

Frequently Asked Questions

What is the IUPAC name of (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40871664) is (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN1C(=O)c2oc3cc(C)ccc3c(=O)c2[C@H]1c1ccc(C)cc1.
What is the InChIKey of (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QLMNRCOOOIZOHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO3/c1-4-5-12-24-20(16-9-6-14(2)7-10-16)19-21(25)17-11-8-15(3)13-18(17)27-22(19)23(24)26/h6-11,13,20H,4-5,12H2,1-3H3/t20-/m1/s1.
What are the key properties of (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 361.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-butyl-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40871664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).