6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one

C18H26N2O2 — CID 74235207

IUPAC6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(=O)[nH]1
InChIInChI=1S/C18H26N2O2/c1-5-13-6-12(7-15(21)19-13)16(22)20-11-18(4)9-14(20)8-17(2,3)10-18/h6-7,14H,5,8-11H2,1-4H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyHZQUUCWDRFPHRZ-RDTXWAMCSA-N
MW302.42 g/mol
LogP2.98
Rot. Bonds2

About 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one

6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one (PubChem CID 74235207) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one
PubChem CID74235207
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(=O)[nH]1
InChIInChI=1S/C18H26N2O2/c1-5-13-6-12(7-15(21)19-13)16(22)20-11-18(4)9-14(20)8-17(2,3)10-18/h6-7,14H,5,8-11H2,1-4H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyHZQUUCWDRFPHRZ-RDTXWAMCSA-N
XLogP2.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one (CID 74235207) is 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one is CCc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one?
The InChIKey is HZQUUCWDRFPHRZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-13-6-12(7-15(21)19-13)16(22)20-11-18(4)9-14(20)8-17(2,3)10-18/h6-7,14H,5,8-11H2,1-4H3,(H,19,21)/t14-,18-/m1/s1.
What are the key properties of 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one?
6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 74235207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).