3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

C9H11NO — CID 90287253

IUPAC3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCc1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C9H11NO/c1-6-5-10-8-4-2-3-7(8)9(6)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeySIVHMYFFDJHYRW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.17
Rot. Bonds

About 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (PubChem CID 90287253) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
PubChem CID90287253
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESCc1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C9H11NO/c1-6-5-10-8-4-2-3-7(8)9(6)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeySIVHMYFFDJHYRW-UHFFFAOYSA-N
XLogP1.17
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,5,6,7,8-Hexahydroquinolin-4-one
CID 17989211
1,2,3,5,6,7-Hexahydrocyclopenta[b]pyridin-4-one
CID 164669516
6,7-Dihydro-1H-cyclopenta[b]pyridin-4(5H)-one
CID 14732817
3-butyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 19595343
1-[2-(Methylamino)cyclohexen-1-yl]ethanone
CID 20689584
5,7-Dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CID 23572850
5-ethyl-2,3-dimethyl-1H-pyridin-4-one
CID 68223762
3-ethyl-2,5-dimethyl-1H-pyridin-4-one
CID 91298594
3,5-diethyl-2-methyl-1H-pyridin-4-one
CID 91490642
3,5-Dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CID 123692207
3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285930
1-[2-(Methylamino)cyclopenten-1-yl]ethanone
CID 144447471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (CID 90287253) is 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is Cc1c[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The InChIKey is SIVHMYFFDJHYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-5-10-8-4-2-3-7(8)9(6)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 90287253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).