5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one

C10H17N3O — CID 79504177

IUPAC5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2=NCCCC2)N1
InChIInChI=1S/C10H17N3O/c14-10-5-4-8(13-10)7-12-9-3-1-2-6-11-9/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyWUXPJCCKPDSCOY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.44
Rot. Bonds2

About 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one

5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one (PubChem CID 79504177) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one
PubChem CID79504177
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNC2=NCCCC2)N1
InChIInChI=1S/C10H17N3O/c14-10-5-4-8(13-10)7-12-9-3-1-2-6-11-9/h8H,1-7H2,(H,11,12)(H,13,14)
InChIKeyWUXPJCCKPDSCOY-UHFFFAOYSA-N
XLogP0.44
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one (CID 79504177) is 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one is O=C1CCC(CNC2=NCCCC2)N1.
What is the InChIKey of 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is WUXPJCCKPDSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-5-4-8(13-10)7-12-9-3-1-2-6-11-9/h8H,1-7H2,(H,11,12)(H,13,14).
What are the key properties of 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one?
5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79504177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).