(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H21NO4 — CID 42387551

IUPAC(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)c1
InChIInChI=1S/C24H21NO4/c1-4-11-25-21(16-7-6-8-17(14-16)28-12-5-2)20-22(26)18-13-15(3)9-10-19(18)29-23(20)24(25)27/h4-10,13-14,21H,1-2,11-12H2,3H3/t21-/m0/s1
InChIKeyTZZBTXJKRNPPIA-NRFANRHFSA-N
MW387.44 g/mol
LogP4.40
Rot. Bonds6

About (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42387551) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42387551
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)c1
InChIInChI=1S/C24H21NO4/c1-4-11-25-21(16-7-6-8-17(14-16)28-12-5-2)20-22(26)18-13-15(3)9-10-19(18)29-23(20)24(25)27/h4-10,13-14,21H,1-2,11-12H2,3H3/t21-/m0/s1
InChIKeyTZZBTXJKRNPPIA-NRFANRHFSA-N
XLogP4.40
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-(2-hydroxyethyl)-7-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27317060
(1S)-2-(1,3-benzodioxol-5-ylmethyl)-7-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143995
1-[3-(3-methylbutoxy)phenyl]-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2964607
ethyl 4-[7-methyl-3,9-dioxo-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18857966
(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819263
7-chloro-6-methyl-1-(3-pentoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882432
(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851040
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810927
2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820472
(1S)-1-(2-fluorophenyl)-7-methyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42387554
1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809875

Frequently Asked Questions

What is the IUPAC name of (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42387551) is (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)c1.
What is the InChIKey of (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is TZZBTXJKRNPPIA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21NO4/c1-4-11-25-21(16-7-6-8-17(14-16)28-12-5-2)20-22(26)18-13-15(3)9-10-19(18)29-23(20)24(25)27/h4-10,13-14,21H,1-2,11-12H2,3H3/t21-/m0/s1.
What are the key properties of (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 387.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methyl-1-(3-prop-2-enoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42387551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).