1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one

C14H19NO — CID 58531180

IUPAC1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESCC(C)c1cnc(C(C)C)c2c1CCC2=O
InChIInChI=1S/C14H19NO/c1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16/h7-9H,5-6H2,1-4H3
InChIKeyIONPEFKTEKCTCT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.46
Rot. Bonds2

About 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one

1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one (PubChem CID 58531180) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one
PubChem CID58531180
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one
SMILESCC(C)c1cnc(C(C)C)c2c1CCC2=O
InChIInChI=1S/C14H19NO/c1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16/h7-9H,5-6H2,1-4H3
InChIKeyIONPEFKTEKCTCT-UHFFFAOYSA-N
XLogP3.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one?
The IUPAC name of 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one (CID 58531180) is 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one.
What is the SMILES notation for 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one?
The canonical SMILES for 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one is CC(C)c1cnc(C(C)C)c2c1CCC2=O.
What is the InChIKey of 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one?
The InChIKey is IONPEFKTEKCTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-8(2)11-7-15-14(9(3)4)13-10(11)5-6-12(13)16/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one?
1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one has a molecular weight of 217.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-5,6-dihydrocyclopenta[c]pyridin-7-one is sourced from PubChem (CID 58531180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).