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

C7H12N2 — CID 67396481

IUPAC(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCN1C=C2NCC[C@@H]2C1
InChIInChI=1S/C7H12N2/c1-9-4-6-2-3-8-7(6)5-9/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyPWDBAIVJFGGOME-ZCFIWIBFSA-N
MW124.19 g/mol
LogP0.38
Rot. Bonds

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

(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole (PubChem CID 67396481) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
PubChem CID67396481
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole
SMILESCN1C=C2NCC[C@@H]2C1
InChIInChI=1S/C7H12N2/c1-9-4-6-2-3-8-7(6)5-9/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyPWDBAIVJFGGOME-ZCFIWIBFSA-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
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
1-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 69151006
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 (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole (CID 67396481) is (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole is CN1C=C2NCC[C@@H]2C1.
What is the InChIKey of (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole?
The InChIKey is PWDBAIVJFGGOME-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-4-6-2-3-8-7(6)5-9/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole?
(3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-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 (3aR)-5-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 67396481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).