2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one

C15H17NO — CID 141322619

IUPAC2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one
SMILESCC1=CC2=C3C=CC(=O)CC3CC2=NC1(C)C
InChIInChI=1S/C15H17NO/c1-9-6-13-12-5-4-11(17)7-10(12)8-14(13)16-15(9,2)3/h4-6,10H,7-8H2,1-3H3
InChIKeyZWCOAPLDTBGIEH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.01
Rot. Bonds

About 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one

2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one (PubChem CID 141322619) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one.

Molecular Properties

Compound Name2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one
PubChem CID141322619
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one
SMILESCC1=CC2=C3C=CC(=O)CC3CC2=NC1(C)C
InChIInChI=1S/C15H17NO/c1-9-6-13-12-5-4-11(17)7-10(12)8-14(13)16-15(9,2)3/h4-6,10H,7-8H2,1-3H3
InChIKeyZWCOAPLDTBGIEH-UHFFFAOYSA-N
XLogP3.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nigelladine B
CID 86302611
Nigelladine A
CID 86302612
(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
CID 90670767
1-[2-(3-Methylbut-2-enyl)indol-2-yl]but-3-en-2-one
CID 123551653
3-Decan-4-ylindol-2-one
CID 67657984
2,3,4,4a,5,6-Hexahydrocarbazol-1-one
CID 139329814
(6E)-5-methyl-6-(6-methyliminocyclohexa-2,4-dien-1-ylidene)octan-2-one
CID 142308331
methylcyclohexane;(Z)-5-methyliminohex-3-en-2-one;molecular hydrogen;(2E,4Z,7Z)-2,5,9-trimethyl-8-(4-oxopentyl)cyclonona-2,4,7-trien-1-one
CID 144956130
3-Cyclohexyl-5-methylindol-2-one
CID 156698901
3-Cyclohexyl-7-methylindol-2-one
CID 156698902
2,2,4,8a-Tetramethyl-6-propan-2-yl-8,9-dihydrocyclopenta[g]quinolin-7-one
CID 72550685
2,2,4,6-Tetramethyl-8a-propan-2-yl-8,9-dihydrocyclopenta[g]quinolin-7-one
CID 72550901

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one?
The IUPAC name of 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one (CID 141322619) is 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one.
What is the SMILES notation for 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one?
The canonical SMILES for 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one is CC1=CC2=C3C=CC(=O)CC3CC2=NC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one?
The InChIKey is ZWCOAPLDTBGIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-9-6-13-12-5-4-11(17)7-10(12)8-14(13)16-15(9,2)3/h4-6,10H,7-8H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one?
2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one has a molecular weight of 227.31 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-8a,9-dihydro-8H-indeno[2,1-b]pyridin-7-one is sourced from PubChem (CID 141322619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).