3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one

C15H19NO — CID 79738183

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
SMILESO=C1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C15H19NO/c17-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-16-15(11)14/h3,5,9,12,14H,1-2,4,6-8,10H2
InChIKeyMWNZHEBRTPDBPJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.26
Rot. Bonds1

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one (PubChem CID 79738183) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
PubChem CID79738183
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
SMILESO=C1CCCCC(C2CCc3cccnc32)C1
InChIInChI=1S/C15H19NO/c17-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-16-15(11)14/h3,5,9,12,14H,1-2,4,6-8,10H2
InChIKeyMWNZHEBRTPDBPJ-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738397
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)oxolan-3-one
CID 164650840
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
CID 79738960
7-(2-bromocyclopentyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748412
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cyclopentane-1-carboxylic acid
CID 81008553
2-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclopentan-1-one
CID 79739041
3-pyridin-2-ylcyclodecan-1-one
CID 175713281
3,4,4a,5,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,6-dione
CID 13403967
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
2-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexane-1-carboxylic acid
CID 81008870
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one (CID 79738183) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one is O=C1CCCCC(C2CCc3cccnc32)C1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one?
The InChIKey is MWNZHEBRTPDBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-13-6-2-1-4-12(10-13)14-8-7-11-5-3-9-16-15(11)14/h3,5,9,12,14H,1-2,4,6-8,10H2.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one is sourced from PubChem (CID 79738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).