1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H18ClNO3 — CID 23471714

IUPAC1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c1-4-9-24-19(14-5-7-15(23)8-6-14)18-20(25)16-10-12(2)13(3)11-17(16)27-21(18)22(24)26/h4-8,10-11,19H,1,9H2,2-3H3
InChIKeyZVMCORDHQBUZNU-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23471714) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23471714
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO3/c1-4-9-24-19(14-5-7-15(23)8-6-14)18-20(25)16-10-12(2)13(3)11-17(16)27-21(18)22(24)26/h4-8,10-11,19H,1,9H2,2-3H3
InChIKeyZVMCORDHQBUZNU-UHFFFAOYSA-N
XLogP4.79
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471707
6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471708
7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882412
(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2205544
(1S)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2214700
1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705931
(1R)-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212775
(1R)-1-(4-methylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7735686
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882444
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
(1S)-7-chloro-1-(4-chlorophenyl)-2,6-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417731

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23471714) is 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZVMCORDHQBUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-4-9-24-19(14-5-7-15(23)8-6-14)18-20(25)16-10-12(2)13(3)11-17(16)27-21(18)22(24)26/h4-8,10-11,19H,1,9H2,2-3H3.
What are the key properties of 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 379.84 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23471714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).