3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H18N2OS — CID 82523254

IUPAC3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCn1c2c(cc(C(N)c3cccs3)c1=O)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-17-12-6-3-5-10(12)9-11(15(17)18)14(16)13-7-4-8-19-13/h4,7-9,14H,2-3,5-6,16H2,1H3
InChIKeyYRBKJNBLAKQICL-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.47
Rot. Bonds3

About 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523254) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523254
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCn1c2c(cc(C(N)c3cccs3)c1=O)CCC2
InChIInChI=1S/C15H18N2OS/c1-2-17-12-6-3-5-10(12)9-11(15(17)18)14(16)13-7-4-8-19-13/h4,7-9,14H,2-3,5-6,16H2,1H3
InChIKeyYRBKJNBLAKQICL-UHFFFAOYSA-N
XLogP2.47
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523254) is 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCn1c2c(cc(C(N)c3cccs3)c1=O)CCC2.
What is the InChIKey of 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is YRBKJNBLAKQICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-17-12-6-3-5-10(12)9-11(15(17)18)14(16)13-7-4-8-19-13/h4,7-9,14H,2-3,5-6,16H2,1H3.
What are the key properties of 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 274.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(thiophen-2-yl)methyl]-1-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).