1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one

C12H13NO — CID 70626456

IUPAC1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one
SMILESO=C1C2C=CC=CC2=C2NCCCC12
InChIInChI=1S/C12H13NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-2,4-5,9-10,13H,3,6-7H2
InChIKeyUEMLTOKACUBIGD-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.57
Rot. Bonds

About 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one

1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one (PubChem CID 70626456) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one
PubChem CID70626456
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one
SMILESO=C1C2C=CC=CC2=C2NCCCC12
InChIInChI=1S/C12H13NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-2,4-5,9-10,13H,3,6-7H2
InChIKeyUEMLTOKACUBIGD-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one (CID 70626456) is 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one is O=C1C2C=CC=CC2=C2NCCCC12.
What is the InChIKey of 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one?
The InChIKey is UEMLTOKACUBIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-2,4-5,9-10,13H,3,6-7H2.
What are the key properties of 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one?
1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one has a molecular weight of 187.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 70626456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).