4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one

C14H23NO — CID 59876634

IUPAC4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one
SMILESCC1(C)CC(C)(C)C2=C1C(=O)NCC2(C)C
InChIInChI=1S/C14H23NO/c1-12(2)7-13(3,4)10-9(12)11(16)15-8-14(10,5)6/h7-8H2,1-6H3,(H,15,16)
InChIKeyTWKCVZGXFBNNMB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.90
Rot. Bonds

About 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one

4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one (PubChem CID 59876634) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one
PubChem CID59876634
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one
SMILESCC1(C)CC(C)(C)C2=C1C(=O)NCC2(C)C
InChIInChI=1S/C14H23NO/c1-12(2)7-13(3,4)10-9(12)11(16)15-8-14(10,5)6/h7-8H2,1-6H3,(H,15,16)
InChIKeyTWKCVZGXFBNNMB-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one (CID 59876634) is 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one is CC1(C)CC(C)(C)C2=C1C(=O)NCC2(C)C.
What is the InChIKey of 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one?
The InChIKey is TWKCVZGXFBNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)7-13(3,4)10-9(12)11(16)15-8-14(10,5)6/h7-8H2,1-6H3,(H,15,16).
What are the key properties of 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one?
4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,7,7-hexamethyl-3,6-dihydro-2H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 59876634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).