1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one

C13H16N2O — CID 118069512

IUPAC1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
SMILESCc1ccc(N2C(=O)CC3CCCC32)nc1
InChIInChI=1S/C13H16N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(11)7-13(15)16/h5-6,8,10-11H,2-4,7H2,1H3
InChIKeyUHTDESJLQOCPFG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.30
Rot. Bonds1

About 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one

1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one (PubChem CID 118069512) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
PubChem CID118069512
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
SMILESCc1ccc(N2C(=O)CC3CCCC32)nc1
InChIInChI=1S/C13H16N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(11)7-13(15)16/h5-6,8,10-11H,2-4,7H2,1H3
InChIKeyUHTDESJLQOCPFG-UHFFFAOYSA-N
XLogP2.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one (CID 118069512) is 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one is Cc1ccc(N2C(=O)CC3CCCC32)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The InChIKey is UHTDESJLQOCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-6-12(14-8-9)15-11-4-2-3-10(11)7-13(15)16/h5-6,8,10-11H,2-4,7H2,1H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 118069512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).