(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C16H20N4O2 — CID 110194953

IUPAC(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cnccn1)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H20N4O2/c21-15-3-1-2-14-12-6-11(9-20(14)15)8-19(10-12)16(22)13-7-17-4-5-18-13/h4-5,7,11-12,14H,1-3,6,8-10H2/t11-,12-,14-/m1/s1
InChIKeyWGFVCTVSARONEA-YRGRVCCFSA-N
MW300.36 g/mol
LogP0.95
Rot. Bonds1

About (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 110194953) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID110194953
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(c1cnccn1)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H20N4O2/c21-15-3-1-2-14-12-6-11(9-20(14)15)8-19(10-12)16(22)13-7-17-4-5-18-13/h4-5,7,11-12,14H,1-3,6,8-10H2/t11-,12-,14-/m1/s1
InChIKeyWGFVCTVSARONEA-YRGRVCCFSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610610
(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 110195537
(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56918570
(2R)-11-(cyclobutanecarbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804361
(1R,2R,9R)-11-(2-ethylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195034
(1R,2S,9R)-11-(5-propyl-1,2-oxazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56868087
(1R,2S,9S)-11-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841758
(1R,2S,9S)-11-(3,4-dimethoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841681
(2R)-11-(4-propan-2-ylbenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804419
11-(5-methylthiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610598
(1R,2R,9R)-11-(5-bromofuran-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194935

Frequently Asked Questions

What is the IUPAC name of (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 110194953) is (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(c1cnccn1)N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is WGFVCTVSARONEA-YRGRVCCFSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-3-1-2-14-12-6-11(9-20(14)15)8-19(10-12)16(22)13-7-17-4-5-18-13/h4-5,7,11-12,14H,1-3,6,8-10H2/t11-,12-,14-/m1/s1.
What are the key properties of (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 300.36 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 110194953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).