4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one

C21H20N2O — CID 123477643

IUPAC4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one
SMILESC=C1NC(=O)C(c2cn(C)c3ccccc23)=C1C1C=C(C)C=CC1
InChIInChI=1S/C21H20N2O/c1-13-7-6-8-15(11-13)19-14(2)22-21(24)20(19)17-12-23(3)18-10-5-4-9-16(17)18/h4-7,9-12,15H,2,8H2,1,3H3,(H,22,24)
InChIKeyDJESAQUBKRZNBK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.10
Rot. Bonds2

About 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one

4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one (PubChem CID 123477643) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one.

Molecular Properties

Compound Name4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one
PubChem CID123477643
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one
SMILESC=C1NC(=O)C(c2cn(C)c3ccccc23)=C1C1C=C(C)C=CC1
InChIInChI=1S/C21H20N2O/c1-13-7-6-8-15(11-13)19-14(2)22-21(24)20(19)17-12-23(3)18-10-5-4-9-16(17)18/h4-7,9-12,15H,2,8H2,1,3H3,(H,22,24)
InChIKeyDJESAQUBKRZNBK-UHFFFAOYSA-N
XLogP4.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methylindol-3-yl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 134136349
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
3-(1-benzofuran-3-yl)-4-(5-cyclopropyl-1-methylindol-3-yl)pyrrole-2,5-dione
CID 16741728
methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
CID 142057078
(1R,2S,6R,7S)-4-(1-methylindol-3-yl)-5-phenyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 53377355
3-(1-methylindol-3-yl)cyclohex-2-en-1-one
CID 83537181
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-indol-1-yl-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327660
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one?
The IUPAC name of 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one (CID 123477643) is 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one.
What is the SMILES notation for 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one?
The canonical SMILES for 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one is C=C1NC(=O)C(c2cn(C)c3ccccc23)=C1C1C=C(C)C=CC1.
What is the InChIKey of 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one?
The InChIKey is DJESAQUBKRZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-13-7-6-8-15(11-13)19-14(2)22-21(24)20(19)17-12-23(3)18-10-5-4-9-16(17)18/h4-7,9-12,15H,2,8H2,1,3H3,(H,22,24).
What are the key properties of 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one?
4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexa-2,4-dien-1-yl)-5-methylidene-3-(1-methylindol-3-yl)pyrrol-2-one is sourced from PubChem (CID 123477643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).