6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine

C11H16N2 — CID 147242903

IUPAC6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine
SMILESCC1=C(C)/N=C\C2=C(CC1)CNC2
InChIInChI=1S/C11H16N2/c1-8-3-4-10-5-12-6-11(10)7-13-9(8)2/h7,12H,3-6H2,1-2H3/b9-8?,13-7-
InChIKeyCLCXGOGXFPVXOU-AAODJUNHSA-N
MW176.26 g/mol
LogP2.04
Rot. Bonds

About 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine

6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine (PubChem CID 147242903) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine.

Molecular Properties

Compound Name6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine
PubChem CID147242903
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine
SMILESCC1=C(C)/N=C\C2=C(CC1)CNC2
InChIInChI=1S/C11H16N2/c1-8-3-4-10-5-12-6-11(10)7-13-9(8)2/h7,12H,3-6H2,1-2H3/b9-8?,13-7-
InChIKeyCLCXGOGXFPVXOU-AAODJUNHSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Fluoropyrrolidin-2-yl)-4-methyliminobut-2-en-2-amine
CID 147792771
N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
CID 143338479
N,3-dimethyl-2-(2-methylprop-2-enylideneamino)cyclopent-2-en-1-amine
CID 144537859
4-Methylimino-3-pyrrolidin-2-ylbut-2-en-2-amine
CID 147561473
4-methylimino-3-[(2S)-pyrrolidin-2-yl]but-2-en-2-amine
CID 147561476
5-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 169693931
Ethane;(5-ethyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 172259133
ethene;N-methyl-1-(6-methyl-1,2,3,4-tetrahydropyridin-5-yl)methanimine
CID 178667380
N-methyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)propan-1-imine
CID 166464684
(5-Ethyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 172259134
N-methyl-1-(6-methyl-1,2,3,4-tetrahydropyridin-5-yl)methanimine
CID 178667381

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine?
The IUPAC name of 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine (CID 147242903) is 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine.
What is the SMILES notation for 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine?
The canonical SMILES for 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine is CC1=C(C)/N=C\C2=C(CC1)CNC2.
What is the InChIKey of 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine?
The InChIKey is CLCXGOGXFPVXOU-AAODJUNHSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-3-4-10-5-12-6-11(10)7-13-9(8)2/h7,12H,3-6H2,1-2H3/b9-8?,13-7-.
What are the key properties of 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine?
6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine has a molecular weight of 176.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,8,9-tetrahydro-1H-pyrrolo[3,4-c]azocine is sourced from PubChem (CID 147242903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).