1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone

C26H24N2O — CID 113087750

IUPAC1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H24N2O/c29-26(25(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-16-15-21(18-28)23-17-27-24-14-8-7-13-22(23)24/h1-14,17,21,25,27H,15-16,18H2
InChIKeyTWMXEPAHZGRESB-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.32
Rot. Bonds4

About 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone

1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone (PubChem CID 113087750) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
PubChem CID113087750
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C26H24N2O/c29-26(25(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-16-15-21(18-28)23-17-27-24-14-8-7-13-22(23)24/h1-14,17,21,25,27H,15-16,18H2
InChIKeyTWMXEPAHZGRESB-UHFFFAOYSA-N
XLogP5.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone (CID 113087750) is 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone?
The InChIKey is TWMXEPAHZGRESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c29-26(25(19-9-3-1-4-10-19)20-11-5-2-6-12-20)28-16-15-21(18-28)23-17-27-24-14-8-7-13-22(23)24/h1-14,17,21,25,27H,15-16,18H2.
What are the key properties of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone?
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone has a molecular weight of 380.49 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 113087750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).