(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

C10H12N2O — CID 102034066

IUPAC(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1CN[C@@H]2C1
InChIInChI=1S/C10H12N2O/c13-10-3-1-2-9-8-4-7(5-11-8)6-12(9)10/h1-3,7-8,11H,4-6H2/t7-,8-/m1/s1
InChIKeyNNRCSYNIECKSBE-HTQZYQBOSA-N
MW176.22 g/mol
LogP0.51
Rot. Bonds

About (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one (PubChem CID 102034066) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
PubChem CID102034066
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1CN[C@@H]2C1
InChIInChI=1S/C10H12N2O/c13-10-3-1-2-9-8-4-7(5-11-8)6-12(9)10/h1-3,7-8,11H,4-6H2/t7-,8-/m1/s1
InChIKeyNNRCSYNIECKSBE-HTQZYQBOSA-N
XLogP0.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9R)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
CID 102034065
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;phosphoric acid
CID 42641684
(1R,9S)-11-(111C)methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 10655771
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233
(1S,9S)-11-hydroxy-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163157728
(1R,9S)-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one bromide
CID 139062774
1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066966
11-methyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 3402072
iodomethane;(1S,9R)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 18477681
2,5-bis[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]cyclohexa-2,5-diene-1,4-dione
CID 15485556
11-ethoxy-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162911611
2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]acetic acid
CID 98202622

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The IUPAC name of (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one (CID 102034066) is (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one.
What is the SMILES notation for (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The canonical SMILES for (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one is O=c1cccc2n1C[C@H]1CN[C@@H]2C1.
What is the InChIKey of (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
The InChIKey is NNRCSYNIECKSBE-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-3-1-2-9-8-4-7(5-11-8)6-12(9)10/h1-3,7-8,11H,4-6H2/t7-,8-/m1/s1.
What are the key properties of (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one?
(1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one has a molecular weight of 176.22 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one is sourced from PubChem (CID 102034066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).