6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one

C15H21NO — CID 154953210

IUPAC6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one
SMILESCCCC(CCC)C1=Cc2c([nH]ccc2=O)C1
InChIInChI=1S/C15H21NO/c1-3-5-11(6-4-2)12-9-13-14(10-12)16-8-7-15(13)17/h7-9,11H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyUYUVAJAGZFVJEZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.53
Rot. Bonds5

About 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one

6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one (PubChem CID 154953210) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one
PubChem CID154953210
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one
SMILESCCCC(CCC)C1=Cc2c([nH]ccc2=O)C1
InChIInChI=1S/C15H21NO/c1-3-5-11(6-4-2)12-9-13-14(10-12)16-8-7-15(13)17/h7-9,11H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyUYUVAJAGZFVJEZ-UHFFFAOYSA-N
XLogP3.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexeno-4-pyridinol
CID 129679634
5,7-Dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CID 23572850
3,5-Dimethyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CID 123692207
3-(3-Aminocyclohexyl)-1,6-dihydroindol-5-one
CID 126522740
1-(5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-2-methylpropan-1-one
CID 132196965
2-Methyl-1-[2-(methylamino)cyclohexa-2,4-dien-1-yl]prop-2-en-1-one
CID 135128694
(Z)-4-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)but-3-en-2-one
CID 140437695
5-[(1Z)-buta-1,3-dienyl]-3,6-dimethyl-2,3-dihydro-1H-pyridin-4-one;ethane
CID 144123555
1-(5-cyclohexa-1,3-dien-1-yl-3-ethenyl-2-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone
CID 146373520
3-[2-(Dipropylamino)ethyl]-1,3a-dihydroindol-4-one
CID 152743125
3-[2-[Methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one
CID 152743240
3-[2-(Dimethylamino)ethyl]-1,3a-dihydroindol-4-one
CID 152743277

Frequently Asked Questions

What is the IUPAC name of 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one (CID 154953210) is 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one is CCCC(CCC)C1=Cc2c([nH]ccc2=O)C1.
What is the InChIKey of 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one?
The InChIKey is UYUVAJAGZFVJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-11(6-4-2)12-9-13-14(10-12)16-8-7-15(13)17/h7-9,11H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one?
6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one has a molecular weight of 231.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptan-4-yl-1,7-dihydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 154953210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).