2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one

C22H20N2O — CID 155664473

IUPAC2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1c(C2CC2)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C22H20N2O/c25-21-16-6-2-4-8-18(16)24-22(21,14-11-12-14)19-15-5-1-3-7-17(15)23-20(19)13-9-10-13/h1-8,13-14,23-24H,9-12H2
InChIKeyBPNBBFVBLGRTAI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.96
Rot. Bonds3

About 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one

2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one (PubChem CID 155664473) has the molecular formula C22H20N2O and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
PubChem CID155664473
Molecular FormulaC22H20N2O
Molecular Weight328.41 g/mol
Exact Mass328.16
IUPAC Name2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one
SMILESO=C1c2ccccc2NC1(c1c(C2CC2)[nH]c2ccccc12)C1CC1
InChIInChI=1S/C22H20N2O/c25-21-16-6-2-4-8-18(16)24-22(21,14-11-12-14)19-15-5-1-3-7-17(15)23-20(19)13-9-10-13/h1-8,13-14,23-24H,9-12H2
InChIKeyBPNBBFVBLGRTAI-UHFFFAOYSA-N
XLogP4.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-[2-(2-fluorophenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664469
2-(2,4-dimethylphenyl)-2-[2-(2,4-dimethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 10575786
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248
2-(4-ethylphenyl)-2-[2-(4-ethylphenyl)-1H-indol-3-yl]-1H-indol-3-one
CID 155664466
3-(1-benzofuran-7-yl)-4-(2-cyclopropyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 69372212
5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
CID 139630245
4-(2-cyclopropyl-1H-indol-3-yl)cyclohexan-1-ol
CID 69112846
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
2-cyclobutyl-3-methyl-1H-indole
CID 91217757
3-cyclopropyl-9H-carbazole
CID 144848262
2-cyclononyl-3-methyl-1H-indole
CID 173177369
5,5,6,6-tetramethyl-11H-benzo[a]carbazole
CID 3770048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one?
The IUPAC name of 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one (CID 155664473) is 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one.
What is the SMILES notation for 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one?
The canonical SMILES for 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one is O=C1c2ccccc2NC1(c1c(C2CC2)[nH]c2ccccc12)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one?
The InChIKey is BPNBBFVBLGRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-21-16-6-2-4-8-18(16)24-22(21,14-11-12-14)19-15-5-1-3-7-17(15)23-20(19)13-9-10-13/h1-8,13-14,23-24H,9-12H2.
What are the key properties of 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one?
2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one has a molecular weight of 328.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-cyclopropyl-1H-indol-3-yl)-1H-indol-3-one is sourced from PubChem (CID 155664473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).