1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one

C14H21N3O — CID 113335564

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
SMILESNc1ccc(=O)n(CCN2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3O/c15-13-4-5-14(18)17(10-13)7-6-16-8-11-2-1-3-12(11)9-16/h4-5,10-12H,1-3,6-9,15H2
InChIKeyKIVSBHZEFSSTJM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one (PubChem CID 113335564) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
PubChem CID113335564
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
SMILESNc1ccc(=O)n(CCN2CC3CCCC3C2)c1
InChIInChI=1S/C14H21N3O/c15-13-4-5-14(18)17(10-13)7-6-16-8-11-2-1-3-12(11)9-16/h4-5,10-12H,1-3,6-9,15H2
InChIKeyKIVSBHZEFSSTJM-UHFFFAOYSA-N
XLogP1.16
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one with MolForge

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Related Compounds

5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 63171540
5-amino-1-(cyclobutylmethyl)pyridin-2-one
CID 65457574
5-amino-1-[2-(4,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62937365
5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
CID 43259593
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]piperidine-4-carboxamide
CID 43259605
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512427
5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
CID 114236554
5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one
CID 62720640
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
CID 65283618
4-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]aniline
CID 113335546
5-amino-1-[2-(2,3-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62125307

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one (CID 113335564) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one is Nc1ccc(=O)n(CCN2CC3CCCC3C2)c1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one?
The InChIKey is KIVSBHZEFSSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13-4-5-14(18)17(10-13)7-6-16-8-11-2-1-3-12(11)9-16/h4-5,10-12H,1-3,6-9,15H2.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one is sourced from PubChem (CID 113335564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).