2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C10H20N2 — CID 121185272

IUPAC2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCCN1CC2CN(C)CC2C1
InChIInChI=1S/C10H20N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h9-10H,3-8H2,1-2H3
InChIKeyGXLYERRYBGMXTP-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.89
Rot. Bonds2

About 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185272) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185272
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCCN1CC2CN(C)CC2C1
InChIInChI=1S/C10H20N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h9-10H,3-8H2,1-2H3
InChIKeyGXLYERRYBGMXTP-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
3-tert-butyl-1-propylazetidine
CID 134337419
3-methylsulfanyl-1-propylazetidine
CID 66695251
3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane
CID 143403306
4-(1-propylpyrrolidin-3-yl)piperidine
CID 117022732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185272) is 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCCN1CC2CN(C)CC2C1.
What is the InChIKey of 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is GXLYERRYBGMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-12-7-9-5-11(2)6-10(9)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 168.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).