7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one

C11H13NO — CID 161133588

IUPAC7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one
SMILESCC(C)C1C=Cc2ccc(=O)[nH]c21
InChIInChI=1S/C11H13NO/c1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h3-7,9H,1-2H3,(H,12,13)
InChIKeyQNEBJRUMDGFFDN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.14
Rot. Bonds1

About 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one

7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 161133588) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one
PubChem CID161133588
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one
SMILESCC(C)C1C=Cc2ccc(=O)[nH]c21
InChIInChI=1S/C11H13NO/c1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h3-7,9H,1-2H3,(H,12,13)
InChIKeyQNEBJRUMDGFFDN-UHFFFAOYSA-N
XLogP2.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-propan-2-yl-1H-indene
CID 165097985
6-hydroxy-5-propan-2-yl-1H-pyridin-2-one
CID 119093189
sodium;hydride;1-[1-(1H-inden-1-yl)ethyl]-1H-indene
CID 173341503
bis(ethane-1,1-diamine);6-(6-oxo-1H-pyridin-2-yl)-1H-pyridin-2-one
CID 162039075
2-propan-2-yl-1,2-dihydroquinoline
CID 126659011
5-[(1S)-1-amino-2-methylpropyl]-6-methyl-1H-pyridin-2-one
CID 130648700
3-methylidene-1,6-di(propan-2-yl)cyclohexa-1,4-diene
CID 59811849
3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one
CID 71438485
8-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962995
8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 59538715
azepine-2,7-dione
CID 15094758
5-chloro-6-methyl-1H-pyridin-2-one
CID 23318261

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one (CID 161133588) is 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one is CC(C)C1C=Cc2ccc(=O)[nH]c21.
What is the InChIKey of 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one?
The InChIKey is QNEBJRUMDGFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h3-7,9H,1-2H3,(H,12,13).
What are the key properties of 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one?
7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 161133588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).