(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21NO5 — CID 40851040

IUPAC(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1
InChIInChI=1S/C22H21NO5/c1-13-7-8-17-16(11-13)20(24)18-19(14-5-4-6-15(12-14)27-3)23(9-10-26-2)22(25)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyYYNUFNCIKXCTPA-LJQANCHMSA-N
MW379.41 g/mol
LogP3.30
Rot. Bonds5

About (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40851040) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40851040
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1
InChIInChI=1S/C22H21NO5/c1-13-7-8-17-16(11-13)20(24)18-19(14-5-4-6-15(12-14)27-3)23(9-10-26-2)22(25)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyYYNUFNCIKXCTPA-LJQANCHMSA-N
XLogP3.30
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851037
(1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066421
(1S)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000932
1-(4-ethylphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706071
7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706173
7-fluoro-2-(2-methoxyethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3710556
1-(3-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3794287
(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809875
1-(4-butoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706079
(1R)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
1-(3-methoxyphenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4257443

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40851040) is (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1.
What is the InChIKey of (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YYNUFNCIKXCTPA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13-7-8-17-16(11-13)20(24)18-19(14-5-4-6-15(12-14)27-3)23(9-10-26-2)22(25)21(18)28-17/h4-8,11-12,19H,9-10H2,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 379.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40851040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).