5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one

C9H9NO — CID 134558287

IUPAC5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
SMILESCC1C(=O)Cc2ncccc21
InChIInChI=1S/C9H9NO/c1-6-7-3-2-4-10-8(7)5-9(6)11/h2-4,6H,5H2,1H3
InChIKeyQQRJKEBXQNCASZ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.31
Rot. Bonds

About 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one

5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one (PubChem CID 134558287) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one.

Molecular Properties

Compound Name5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
PubChem CID134558287
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
SMILESCC1C(=O)Cc2ncccc21
InChIInChI=1S/C9H9NO/c1-6-7-3-2-4-10-8(7)5-9(6)11/h2-4,6H,5H2,1H3
InChIKeyQQRJKEBXQNCASZ-UHFFFAOYSA-N
XLogP1.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one?
The IUPAC name of 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one (CID 134558287) is 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one.
What is the SMILES notation for 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one?
The canonical SMILES for 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one is CC1C(=O)Cc2ncccc21.
What is the InChIKey of 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one?
The InChIKey is QQRJKEBXQNCASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-7-3-2-4-10-8(7)5-9(6)11/h2-4,6H,5H2,1H3.
What are the key properties of 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one?
5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one has a molecular weight of 147.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one is sourced from PubChem (CID 134558287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).