2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one

C11H19NO — CID 541693

IUPAC2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
SMILESCC1CN(C)CC2C(C)C(=O)CC12
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3
InChIKeyQLZHMPAVGNWQMF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds

About 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one

2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one (PubChem CID 541693) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one.

Molecular Properties

Compound Name2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
PubChem CID541693
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one
SMILESCC1CN(C)CC2C(C)C(=O)CC12
InChIInChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3
InChIKeyQLZHMPAVGNWQMF-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The IUPAC name of 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one (CID 541693) is 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one.
What is the SMILES notation for 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The canonical SMILES for 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one is CC1CN(C)CC2C(C)C(=O)CC12.
What is the InChIKey of 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
The InChIKey is QLZHMPAVGNWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-10H,4-6H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one?
2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one has a molecular weight of 181.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-3,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-one is sourced from PubChem (CID 541693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).