1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

C7H12N2 — CID 69151006

IUPAC1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCN1CCC2CNC=C21
InChIInChI=1S/C7H12N2/c1-9-3-2-6-4-8-5-7(6)9/h5-6,8H,2-4H2,1H3
InChIKeyWOFUXFRVLSHZNU-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.38
Rot. Bonds

About 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole

1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 69151006) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID69151006
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESCN1CCC2CNC=C21
InChIInChI=1S/C7H12N2/c1-9-3-2-6-4-8-5-7(6)9/h5-6,8H,2-4H2,1H3
InChIKeyWOFUXFRVLSHZNU-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-(methylene)pyrrolidine
CID 70311405
N-methyl-1-(1-methylpyrrolidin-3-yl)ethenamine
CID 58035271
4-Methyl-2-methylidenepyrrolidine
CID 59894852
1,2,3,3a,4,5-Hexahydropyrrolo[2,3-c]pyrrole
CID 66696949
5-methyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66698029
(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
CID 67396481
5-ethyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 67771186
(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 68499271
5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
CID 69243726
5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 77506177
N-methyl-1-(5-methylidenepyrrolidin-3-yl)methanamine
CID 90161356
1-(1-Methylpyrrolidin-3-yl)ethenamine
CID 90428929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole (CID 69151006) is 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is CN1CCC2CNC=C21.
What is the InChIKey of 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is WOFUXFRVLSHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-3-2-6-4-8-5-7(6)9/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole?
1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 124.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 69151006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).