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

C25H25NO3 — CID 23471708

IUPAC6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C25H25NO3/c1-6-11-26-22(18-9-7-17(8-10-18)14(2)3)21-23(27)19-12-15(4)16(5)13-20(19)29-24(21)25(26)28/h6-10,12-14,22H,1,11H2,2-5H3
InChIKeyDKXUVPULTDSOJX-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.26
Rot. Bonds4

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

6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23471708) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23471708
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C25H25NO3/c1-6-11-26-22(18-9-7-17(8-10-18)14(2)3)21-23(27)19-12-15(4)16(5)13-20(19)29-24(21)25(26)28/h6-10,12-14,22H,1,11H2,2-5H3
InChIKeyDKXUVPULTDSOJX-UHFFFAOYSA-N
XLogP5.26
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23471708) is 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(C(C)C)cc1.
What is the InChIKey of 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DKXUVPULTDSOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-6-11-26-22(18-9-7-17(8-10-18)14(2)3)21-23(27)19-12-15(4)16(5)13-20(19)29-24(21)25(26)28/h6-10,12-14,22H,1,11H2,2-5H3.
What are the key properties of 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 387.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(4-propan-2-ylphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23471708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).