3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide

C13H15N3O2 — CID 24937834

IUPAC3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCNC1)C2
InChIInChI=1S/C13H15N3O2/c14-12(17)10-3-1-2-8-7-16(13(18)11(8)10)9-4-5-15-6-9/h1-3,9,15H,4-7H2,(H2,14,17)
InChIKeyJQZSJDHTHHCKLG-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.10
Rot. Bonds2

About 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide

3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide (PubChem CID 24937834) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide
PubChem CID24937834
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCNC1)C2
InChIInChI=1S/C13H15N3O2/c14-12(17)10-3-1-2-8-7-16(13(18)11(8)10)9-4-5-15-6-9/h1-3,9,15H,4-7H2,(H2,14,17)
InChIKeyJQZSJDHTHHCKLG-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide (CID 24937834) is 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCNC1)C2.
What is the InChIKey of 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide?
The InChIKey is JQZSJDHTHHCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-12(17)10-3-1-2-8-7-16(13(18)11(8)10)9-4-5-15-6-9/h1-3,9,15H,4-7H2,(H2,14,17).
What are the key properties of 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide?
3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyrrolidin-3-yl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24937834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).