2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one

C15H27NO — CID 23561283

IUPAC2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2CCCC2CN1C(C)C
InChIInChI=1S/C15H27NO/c1-10(2)15(17)14-8-12-6-5-7-13(12)9-16(14)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyJOCDEOMYBQUXGV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one

2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one (PubChem CID 23561283) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one
PubChem CID23561283
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1CC2CCCC2CN1C(C)C
InChIInChI=1S/C15H27NO/c1-10(2)15(17)14-8-12-6-5-7-13(12)9-16(14)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyJOCDEOMYBQUXGV-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one (CID 23561283) is 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one is CC(C)C(=O)C1CC2CCCC2CN1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one?
The InChIKey is JOCDEOMYBQUXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10(2)15(17)14-8-12-6-5-7-13(12)9-16(14)11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one?
2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 23561283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).