(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23NO4 — CID 27317065

IUPAC(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCO)C3=O
InChIInChI=1S/C23H23NO4/c1-13(2)15-5-7-16(8-6-15)20-19-21(26)17-12-14(3)4-9-18(17)28-22(19)23(27)24(20)10-11-25/h4-9,12-13,20,25H,10-11H2,1-3H3/t20-/m1/s1
InChIKeyWNIZQDYDSCHJRN-HXUWFJFHSA-N
MW377.44 g/mol
LogP3.76
Rot. Bonds4

About (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27317065) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27317065
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCO)C3=O
InChIInChI=1S/C23H23NO4/c1-13(2)15-5-7-16(8-6-15)20-19-21(26)17-12-14(3)4-9-18(17)28-22(19)23(27)24(20)10-11-25/h4-9,12-13,20,25H,10-11H2,1-3H3/t20-/m1/s1
InChIKeyWNIZQDYDSCHJRN-HXUWFJFHSA-N
XLogP3.76
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-ethylphenyl)-2-(2-hydroxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42278621
7-methyl-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3282039
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 30469550
7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3422074
(1S)-7-methyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41201797
2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3780511
2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4134354
7-bromo-2-(3-hydroxypropyl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3457590
2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
2-(4-fluorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858211
(1S)-7-chloro-2-(2-hydroxyethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40606586
(1R)-2-(2-hydroxyethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414935

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27317065) is (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCO)C3=O.
What is the InChIKey of (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WNIZQDYDSCHJRN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO4/c1-13(2)15-5-7-16(8-6-15)20-19-21(26)17-12-14(3)4-9-18(17)28-22(19)23(27)24(20)10-11-25/h4-9,12-13,20,25H,10-11H2,1-3H3/t20-/m1/s1.
What are the key properties of (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 377.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-hydroxyethyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27317065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).