5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one

C10H17N3O — CID 79504271

IUPAC5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2=NCCC2)CCC1=O
InChIInChI=1S/C10H17N3O/c1-13-7-8(4-5-10(13)14)12-9-3-2-6-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUKAWZOGRKXTJAH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.39
Rot. Bonds1

About 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one

5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one (PubChem CID 79504271) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one
PubChem CID79504271
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2=NCCC2)CCC1=O
InChIInChI=1S/C10H17N3O/c1-13-7-8(4-5-10(13)14)12-9-3-2-6-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyUKAWZOGRKXTJAH-UHFFFAOYSA-N
XLogP0.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one (CID 79504271) is 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one is CN1CC(NC2=NCCC2)CCC1=O.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one?
The InChIKey is UKAWZOGRKXTJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-8(4-5-10(13)14)12-9-3-2-6-11-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one?
5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 79504271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).