1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone

C11H14N2O — CID 58906754

IUPAC1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone
SMILESCC(=O)c1n[nH]c2c1CC1C2C1(C)C
InChIInChI=1S/C11H14N2O/c1-5(14)9-6-4-7-8(11(7,2)3)10(6)13-12-9/h7-8H,4H2,1-3H3,(H,12,13)
InChIKeySEHGROFNBKNBGM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.91
Rot. Bonds1

About 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone

1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone (PubChem CID 58906754) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone
PubChem CID58906754
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone
SMILESCC(=O)c1n[nH]c2c1CC1C2C1(C)C
InChIInChI=1S/C11H14N2O/c1-5(14)9-6-4-7-8(11(7,2)3)10(6)13-12-9/h7-8H,4H2,1-3H3,(H,12,13)
InChIKeySEHGROFNBKNBGM-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 57413452
(2S,4R)-spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-7-carboxylic acid
CID 57413548
1-(3-ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone
CID 58906862
spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclohexane]-7-carboxylic acid
CID 11658691
1-(3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)ethanone
CID 3681815
1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
CID 92846372
(2S,4R)-3,3,9-trimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 72793720
N-(2-acetyl-6,6-dimethyl-3-bicyclo[3.1.0]hex-2-enyl)acetamide
CID 2871082
(2S,3S,4R)-3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid;(2S,3R,4R)-3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 161073626
1-(3-butyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone;1-(7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl)ethanone;1-(8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone;1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone;3,3-dimethyl-7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-ethyl-7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;1-(3-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone;1-[3-(2-methylpropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl]ethanone;3-methyl-7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;1-(3-pentyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone;3-propyl-7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;7-(3H-1,2,4-triazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
CID 159572328
8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 69059838
3-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 11535799

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone (CID 58906754) is 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone is CC(=O)c1n[nH]c2c1CC1C2C1(C)C.
What is the InChIKey of 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone?
The InChIKey is SEHGROFNBKNBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-5(14)9-6-4-7-8(11(7,2)3)10(6)13-12-9/h7-8H,4H2,1-3H3,(H,12,13).
What are the key properties of 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone?
1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone has a molecular weight of 190.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-7-yl)ethanone is sourced from PubChem (CID 58906754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).