(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen

C9H15NO2 — CID 153361649

IUPAC(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen
SMILESC/C1=C/NC(=O)C(C)CCC1=O.[H][H]
InChIInChI=1S/C9H13NO2.H2/c1-6-3-4-8(11)7(2)5-10-9(6)12;/h5-6H,3-4H2,1-2H3,(H,10,12);1H/b7-5-;
InChIKeyCPQCHJZAJOCBKL-YJOCEBFMSA-N
MW169.22 g/mol
LogP1.25
Rot. Bonds

About (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen

(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen (PubChem CID 153361649) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen.

Molecular Properties

Compound Name(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen
PubChem CID153361649
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen
SMILESC/C1=C/NC(=O)C(C)CCC1=O.[H][H]
InChIInChI=1S/C9H13NO2.H2/c1-6-3-4-8(11)7(2)5-10-9(6)12;/h5-6H,3-4H2,1-2H3,(H,10,12);1H/b7-5-;
InChIKeyCPQCHJZAJOCBKL-YJOCEBFMSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen with MolForge

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Related Compounds

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2,2,5,9-tetramethyl-1,7,8,9-tetrahydrocyclopenta[8]annulene-3,6-dione
CID 162965014
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
3-methylazepan-2-one;molecular hydrogen
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CID 115417433
(7Z,9Z)-3,8,11-trimethyl-6-methylidene-1-azacycloundeca-7,9-dien-2-one
CID 143509886
2,3,5-trimethylcyclohept-2-en-1-one
CID 142093002
1,6-dimethyl-4,6,7,8-tetrahydropyrrolo[3,2-b]azepin-5-one
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8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984537
(4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)cyclohex-2-en-1-one
CID 92982551
ethane;4-methylcyclohexane-1,3-dione
CID 153395482

Frequently Asked Questions

What is the IUPAC name of (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen?
The IUPAC name of (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen (CID 153361649) is (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen.
What is the SMILES notation for (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen?
The canonical SMILES for (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen is C/C1=C/NC(=O)C(C)CCC1=O.[H][H].
What is the InChIKey of (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen?
The InChIKey is CPQCHJZAJOCBKL-YJOCEBFMSA-N. The full InChI is InChI=1S/C9H13NO2.H2/c1-6-3-4-8(11)7(2)5-10-9(6)12;/h5-6H,3-4H2,1-2H3,(H,10,12);1H/b7-5-;.
What are the key properties of (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen?
(7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen has a molecular weight of 169.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,7-dimethyl-1,3,4,5-tetrahydroazocine-2,6-dione;molecular hydrogen is sourced from PubChem (CID 153361649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).