3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one

C15H19N3O — CID 123230177

IUPAC3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESCCCC1CCN(Cc2c[nH]c3cnccc23)C1=O
InChIInChI=1S/C15H19N3O/c1-2-3-11-5-7-18(15(11)19)10-12-8-17-14-9-16-6-4-13(12)14/h4,6,8-9,11,17H,2-3,5,7,10H2,1H3
InChIKeyGPRBWLKDWVYIHH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds4

About 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one

3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 123230177) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID123230177
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESCCCC1CCN(Cc2c[nH]c3cnccc23)C1=O
InChIInChI=1S/C15H19N3O/c1-2-3-11-5-7-18(15(11)19)10-12-8-17-14-9-16-6-4-13(12)14/h4,6,8-9,11,17H,2-3,5,7,10H2,1H3
InChIKeyGPRBWLKDWVYIHH-UHFFFAOYSA-N
XLogP2.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one (CID 123230177) is 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one is CCCC1CCN(Cc2c[nH]c3cnccc23)C1=O.
What is the InChIKey of 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is GPRBWLKDWVYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-11-5-7-18(15(11)19)10-12-8-17-14-9-16-6-4-13(12)14/h4,6,8-9,11,17H,2-3,5,7,10H2,1H3.
What are the key properties of 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one?
3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 123230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).