1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

C20H21NO3 — CID 165044970

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3ccc(OC)c(OC)c3)ccc2N1
InChIInChI=1S/C20H21NO3/c1-13-8-16-9-14(4-6-18(16)21-13)10-17(22)11-15-5-7-19(23-2)20(12-15)24-3/h4-7,9,12,21H,1,8,10-11H2,2-3H3
InChIKeyKPIUWGAJWLDDDI-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.54
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one

1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (PubChem CID 165044970) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
PubChem CID165044970
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
SMILESC=C1Cc2cc(CC(=O)Cc3ccc(OC)c(OC)c3)ccc2N1
InChIInChI=1S/C20H21NO3/c1-13-8-16-9-14(4-6-18(16)21-13)10-17(22)11-15-5-7-19(23-2)20(12-15)24-3/h4-7,9,12,21H,1,8,10-11H2,2-3H3
InChIKeyKPIUWGAJWLDDDI-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
CID 164998816
1-(2-methylidene-1,3-dihydroindol-5-yl)-3-(4-nitrophenyl)propan-2-one
CID 164967894
1-(2-chloro-5-methylphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one
CID 164979572
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
N-methyl-1-(2-methylidene-1,3-dihydroindol-5-yl)methanamine
CID 161203185
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-one
CID 66045753
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
CID 61055069
1-(5-chloro-2-methoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164995558
1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
CID 67928685
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one (CID 165044970) is 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is C=C1Cc2cc(CC(=O)Cc3ccc(OC)c(OC)c3)ccc2N1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
The InChIKey is KPIUWGAJWLDDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-8-16-9-14(4-6-18(16)21-13)10-17(22)11-15-5-7-19(23-2)20(12-15)24-3/h4-7,9,12,21H,1,8,10-11H2,2-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one?
1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)propan-2-one is sourced from PubChem (CID 165044970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).