2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23NO4 — CID 18879633

IUPAC2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2C)c1
InChIInChI=1S/C23H23NO4/c1-14(2)11-12-27-16-8-6-7-15(13-16)20-19-21(25)17-9-4-5-10-18(17)28-22(19)23(26)24(20)3/h4-10,13-14,20H,11-12H2,1-3H3
InChIKeyBVVIKNDPPMBDHG-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.39
Rot. Bonds5

About 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18879633) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18879633
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2C)c1
InChIInChI=1S/C23H23NO4/c1-14(2)11-12-27-16-8-6-7-15(13-16)20-19-21(25)17-9-4-5-10-18(17)28-22(19)23(26)24(20)3/h4-10,13-14,20H,11-12H2,1-3H3
InChIKeyBVVIKNDPPMBDHG-UHFFFAOYSA-N
XLogP4.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879631
(1S)-2-butyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316043
2-(3-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852701
1-[3-(3-methylbutoxy)phenyl]-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2964607
1-[3-(3-methylbutoxy)phenyl]-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819099
(1S)-2-[(3R)-1,1-dioxothiolan-3-yl]-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387457
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7379009
(1S)-1-(3-bromophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741307
7-bromo-2-(3-bromophenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855049
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18879633) is 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2C)c1.
What is the InChIKey of 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BVVIKNDPPMBDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-14(2)11-12-27-16-8-6-7-15(13-16)20-19-21(25)17-9-4-5-10-18(17)28-22(19)23(26)24(20)3/h4-10,13-14,20H,11-12H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 377.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).