1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H20FN3O2 — CID 70734606

IUPAC1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H20FN3O2/c1-21(10-14-7-11-6-13(19)2-5-16(11)20-14)18(24)12-8-17(23)22(9-12)15-3-4-15/h2,5-7,12,15,20H,3-4,8-10H2,1H3
InChIKeyKIPQQIHYOWJXBM-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.28
Rot. Bonds4

About 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 70734606) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID70734606
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H20FN3O2/c1-21(10-14-7-11-6-13(19)2-5-16(11)20-14)18(24)12-8-17(23)22(9-12)15-3-4-15/h2,5-7,12,15,20H,3-4,8-10H2,1H3
InChIKeyKIPQQIHYOWJXBM-UHFFFAOYSA-N
XLogP2.28
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 70734606) is 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KIPQQIHYOWJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-21(10-14-7-11-6-13(19)2-5-16(11)20-14)18(24)12-8-17(23)22(9-12)15-3-4-15/h2,5-7,12,15,20H,3-4,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70734606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).