5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H22N2 — CID 130174300

IUPAC5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(CN2CC3CNCC3C2)CCC1
InChIInChI=1S/C12H22N2/c1-12(3-2-4-12)9-14-7-10-5-13-6-11(10)8-14/h10-11,13H,2-9H2,1H3
InChIKeyHGWHGJPIAGENQB-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

About 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 130174300) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID130174300
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1(CN2CC3CNCC3C2)CCC1
InChIInChI=1S/C12H22N2/c1-12(3-2-4-12)9-14-7-10-5-13-6-11(10)8-14/h10-11,13H,2-9H2,1H3
InChIKeyHGWHGJPIAGENQB-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aS,6aR)-5-[(3-methyloxetan-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 144962853
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178038134
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
CID 130601346
2-[(1-methylcyclobutyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906458
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
(3aR,6aS)-2-methyl-5-[(3-methylpyrrolidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;hydrochloride
CID 120903554

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 130174300) is 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1(CN2CC3CNCC3C2)CCC1.
What is the InChIKey of 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is HGWHGJPIAGENQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(3-2-4-12)9-14-7-10-5-13-6-11(10)8-14/h10-11,13H,2-9H2,1H3.
What are the key properties of 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 194.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 130174300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).