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

C23H20ClNO3 — CID 18882412

IUPAC7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(CC)cc1
InChIInChI=1S/C23H20ClNO3/c1-4-10-25-20(15-8-6-14(5-2)7-9-15)19-21(26)16-12-17(24)13(3)11-18(16)28-22(19)23(25)27/h4,6-9,11-12,20H,1,5,10H2,2-3H3
InChIKeyXKUPVWVCCNLTEU-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.05
Rot. Bonds4

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

7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882412) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882412
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(CC)cc1
InChIInChI=1S/C23H20ClNO3/c1-4-10-25-20(15-8-6-14(5-2)7-9-15)19-21(26)16-12-17(24)13(3)11-18(16)28-22(19)23(25)27/h4,6-9,11-12,20H,1,5,10H2,2-3H3
InChIKeyXKUPVWVCCNLTEU-UHFFFAOYSA-N
XLogP5.05
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.05
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

1-(4-chlorophenyl)-6,7-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471714
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-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882705
7-chloro-6-methyl-1-(3-pentoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882432
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882444
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688
methyl 4-(7-chloro-2-ethyl-6-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19134572
2-butyl-7-chloro-6-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882297
7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882587
(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417683
methyl 4-(7-chloro-6-methyl-3,9-dioxo-2-propyl-1H-chromeno[2,3-c]pyrrol-1-yl)benzoate
CID 19134584

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882412) is 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(CC)cc1.
What is the InChIKey of 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XKUPVWVCCNLTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-4-10-25-20(15-8-6-14(5-2)7-9-15)19-21(26)16-12-17(24)13(3)11-18(16)28-22(19)23(25)27/h4,6-9,11-12,20H,1,5,10H2,2-3H3.
What are the key properties of 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 393.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-ethylphenyl)-6-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).