3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C12H16N2OS — CID 60525654

IUPAC3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCc1ccc(C2NC(=O)C3CCCCN32)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)11-13-12(15)9-4-2-3-7-14(9)11/h5-6,9,11H,2-4,7H2,1H3,(H,13,15)
InChIKeyAVHLDMOYNQTUOL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds1

About 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525654) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525654
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESCc1ccc(C2NC(=O)C3CCCCN32)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)11-13-12(15)9-4-2-3-7-14(9)11/h5-6,9,11H,2-4,7H2,1H3,(H,13,15)
InChIKeyAVHLDMOYNQTUOL-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525654) is 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is Cc1ccc(C2NC(=O)C3CCCCN32)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is AVHLDMOYNQTUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)11-13-12(15)9-4-2-3-7-14(9)11/h5-6,9,11H,2-4,7H2,1H3,(H,13,15).
What are the key properties of 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 236.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).