(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C20H16ClNO3 — CID 27315522

IUPAC(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3/c1-2-10-22-17(12-6-5-7-13(21)11-12)16-18(23)14-8-3-4-9-15(14)25-19(16)20(22)24/h3-9,11,17H,2,10H2,1H3/t17-/m1/s1
InChIKeyOZQPLDOFDIRMRO-QGZVFWFLSA-N
MW353.81 g/mol
LogP4.40
Rot. Bonds3

About (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27315522) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27315522
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C20H16ClNO3/c1-2-10-22-17(12-6-5-7-13(21)11-12)16-18(23)14-8-3-4-9-15(14)25-19(16)20(22)24/h3-9,11,17H,2,10H2,1H3/t17-/m1/s1
InChIKeyOZQPLDOFDIRMRO-QGZVFWFLSA-N
XLogP4.40
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706326
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
(1R)-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009071
(1S)-1-(3-chlorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528655
(1S)-1-(4-bromophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315461
(1S)-1-(4-ethylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315501
(1S)-2-butyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316000
(1S)-7-chloro-1-(3-chlorophenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066329
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
7-chloro-1-(3-chlorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3518354
(1R)-1-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008426
(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40872018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27315522) is (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OZQPLDOFDIRMRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-2-10-22-17(12-6-5-7-13(21)11-12)16-18(23)14-8-3-4-9-15(14)25-19(16)20(22)24/h3-9,11,17H,2,10H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 353.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27315522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).