1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C18H21N3O2 — CID 91955823

IUPAC1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-8-7-16(18(23)20-9-3-4-10-20)21(17)12-13-11-19-15-6-2-1-5-14(13)15/h1-2,5-6,11,16,19H,3-4,7-10,12H2
InChIKeyYOCNXEAVASAZKE-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.28
Rot. Bonds3

About 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 91955823) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID91955823
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-8-7-16(18(23)20-9-3-4-10-20)21(17)12-13-11-19-15-6-2-1-5-14(13)15/h1-2,5-6,11,16,19H,3-4,7-10,12H2
InChIKeyYOCNXEAVASAZKE-UHFFFAOYSA-N
XLogP2.28
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 91955673
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(1H-indol-3-ylmethyl)pyrrolidin-2-one
CID 91955548
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91957713
1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide
CID 91955679
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 91955823) is 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YOCNXEAVASAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-8-7-16(18(23)20-9-3-4-10-20)21(17)12-13-11-19-15-6-2-1-5-14(13)15/h1-2,5-6,11,16,19H,3-4,7-10,12H2.
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 91955823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).