6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C12H22N2 — CID 131182942

IUPAC6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC1CC1CN1CCC2CCNC2C1
InChIInChI=1S/C12H22N2/c1-9-6-11(9)7-14-5-3-10-2-4-13-12(10)8-14/h9-13H,2-8H2,1H3
InChIKeyOVMGBYVBPZZZRC-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

About 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 131182942) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID131182942
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC1CC1CN1CCC2CCNC2C1
InChIInChI=1S/C12H22N2/c1-9-6-11(9)7-14-5-3-10-2-4-13-12(10)8-14/h9-13H,2-8H2,1H3
InChIKeyOVMGBYVBPZZZRC-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 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
(3aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 166655921
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 164650694
(3aS,6aS)-5-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850440
2-methyl-3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidine
CID 79384640
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
(3aS,7aS)-6-(2-phenylethyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 11842673
(3aS,6aS)-5-(3-ethylsulfonylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 65096945
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(3aS,6aS)-5-pentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64851796
(3aS,6aS)-5-(2-propan-2-ylsulfonylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 106732677

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 131182942) is 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CC1CC1CN1CCC2CCNC2C1.
What is the InChIKey of 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is OVMGBYVBPZZZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-6-11(9)7-14-5-3-10-2-4-13-12(10)8-14/h9-13H,2-8H2,1H3.
What are the key properties of 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine 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 6-[(2-methylcyclopropyl)methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 131182942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).