3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one

C19H16N2O3 — CID 59962437

IUPAC3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC4CC45C(=O)C=CC=C35)cc2c1
InChIInChI=1S/C19H16N2O3/c1-24-13-5-6-14-11(7-13)8-15(20-14)18(23)21-10-12-9-19(12)16(21)3-2-4-17(19)22/h2-8,12,20H,9-10H2,1H3
InChIKeyQLZJBCZQEIDFDW-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.66
Rot. Bonds2

About 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one

3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one (PubChem CID 59962437) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one.

Molecular Properties

Compound Name3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
PubChem CID59962437
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC4CC45C(=O)C=CC=C35)cc2c1
InChIInChI=1S/C19H16N2O3/c1-24-13-5-6-14-11(7-13)8-15(20-14)18(23)21-10-12-9-19(12)16(21)3-2-4-17(19)22/h2-8,12,20H,9-10H2,1H3
InChIKeyQLZJBCZQEIDFDW-UHFFFAOYSA-N
XLogP2.66
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-hydroxy-9-(5-methoxy-1H-indole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171911779
(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 101120750
2-[(3R,4S)-4-hydroxy-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154567698
(13S)-11-[5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]ethoxy]-1H-indole-2-carbonyl]-3-methyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 177228731
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
methyl (1S,12R)-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 23628877
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
N-[(3S,4R)-1-(5-methoxy-1H-indole-2-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72936224
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
2-cyclopropyl-9-(5-methoxy-1H-indole-2-carbonyl)-3,3-dioxo-4,5,7,8,10,10a-hexahydropyrazino[2,1-d][1,2,5]thiadiazepin-1-one
CID 91923682
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The IUPAC name of 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one (CID 59962437) is 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one.
What is the SMILES notation for 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The canonical SMILES for 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one is COc1ccc2[nH]c(C(=O)N3CC4CC45C(=O)C=CC=C35)cc2c1.
What is the InChIKey of 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
The InChIKey is QLZJBCZQEIDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-13-5-6-14-11(7-13)8-15(20-14)18(23)21-10-12-9-19(12)16(21)3-2-4-17(19)22/h2-8,12,20H,9-10H2,1H3.
What are the key properties of 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one?
3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one has a molecular weight of 320.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one is sourced from PubChem (CID 59962437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).