(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one

C19H25NO — CID 86302612

IUPAC(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one
SMILESCC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12
InChIInChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1
InChIKeyZLLJDNGQDGFFLK-IBGZPJMESA-N
MW283.42 g/mol
LogP4.43
Rot. Bonds1

About (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one

(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one (PubChem CID 86302612) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one.

Molecular Properties

Compound Name(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one
PubChem CID86302612
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one
SMILESCC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12
InChIInChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1
InChIKeyZLLJDNGQDGFFLK-IBGZPJMESA-N
XLogP4.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one?
The IUPAC name of (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one (CID 86302612) is (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one.
What is the SMILES notation for (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one?
The canonical SMILES for (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one is CC1=CC(C)(C)N=C2C[C@@]3(C)CC(=O)C(C(C)C)=CC3=C12.
What is the InChIKey of (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one?
The InChIKey is ZLLJDNGQDGFFLK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1.
What are the key properties of (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one?
(8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one has a molecular weight of 283.42 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one is sourced from PubChem (CID 86302612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).