3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide

C18H21N3O2 — CID 71975520

IUPAC3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
SMILESC#CCNC(=O)N1CC(CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-10-19-18(23)21-13-14(15-6-3-4-7-16(15)21)9-12-20-11-5-8-17(20)22/h1,3-4,6-7,14H,5,8-13H2,(H,19,23)
InChIKeyYEPQINLZEGXQBC-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.95
Rot. Bonds4

About 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide

3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide (PubChem CID 71975520) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
PubChem CID71975520
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
SMILESC#CCNC(=O)N1CC(CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-10-19-18(23)21-13-14(15-6-3-4-7-16(15)21)9-12-20-11-5-8-17(20)22/h1,3-4,6-7,14H,5,8-13H2,(H,19,23)
InChIKeyYEPQINLZEGXQBC-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide (CID 71975520) is 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide is C#CCNC(=O)N1CC(CCN2CCCC2=O)c2ccccc21.
What is the InChIKey of 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is YEPQINLZEGXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-10-19-18(23)21-13-14(15-6-3-4-7-16(15)21)9-12-20-11-5-8-17(20)22/h1,3-4,6-7,14H,5,8-13H2,(H,19,23).
What are the key properties of 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide?
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 71975520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).