5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one

C19H27N3O2 — CID 154565211

IUPAC5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C19H27N3O2/c1-2-16-15(6-7-18(23)20-16)19(24)22-11-13-9-14(12-22)17-5-3-4-8-21(17)10-13/h6-7,13-14,17H,2-5,8-12H2,1H3,(H,20,23)/t13-,14-,17+/m1/s1
InChIKeyZNFTUQRIOSYOPP-CPUCHLNUSA-N
MW329.44 g/mol
LogP1.88
Rot. Bonds2

About 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one

5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one (PubChem CID 154565211) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one
PubChem CID154565211
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2
InChIInChI=1S/C19H27N3O2/c1-2-16-15(6-7-18(23)20-16)19(24)22-11-13-9-14(12-22)17-5-3-4-8-21(17)10-13/h6-7,13-14,17H,2-5,8-12H2,1H3,(H,20,23)/t13-,14-,17+/m1/s1
InChIKeyZNFTUQRIOSYOPP-CPUCHLNUSA-N
XLogP1.88
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one (CID 154565211) is 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one is CCc1[nH]c(=O)ccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2.
What is the InChIKey of 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is ZNFTUQRIOSYOPP-CPUCHLNUSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-16-15(6-7-18(23)20-16)19(24)22-11-13-9-14(12-22)17-5-3-4-8-21(17)10-13/h6-7,13-14,17H,2-5,8-12H2,1H3,(H,20,23)/t13-,14-,17+/m1/s1.
What are the key properties of 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one?
5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 154565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).