5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C12H22N2 — CID 130578140

IUPAC5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESC1CCC(N2CCC3CNCC3C2)C1
InChIInChI=1S/C12H22N2/c1-2-4-12(3-1)14-6-5-10-7-13-8-11(10)9-14/h10-13H,1-9H2
InChIKeyMQPDBWCHAWVBAI-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds1

About 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 130578140) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID130578140
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESC1CCC(N2CCC3CNCC3C2)C1
InChIInChI=1S/C12H22N2/c1-2-4-12(3-1)14-6-5-10-7-13-8-11(10)9-14/h10-13H,1-9H2
InChIKeyMQPDBWCHAWVBAI-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
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4-(azetidin-3-yl)-1-cyclopropylpiperidine
CID 138111863
1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
CID 87765664
6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82931358
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
CID 127721176
(1S,5S)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
CID 98078439
(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
CID 98078438
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
CID 172701380
CID 172701380

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 130578140) is 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is C1CCC(N2CCC3CNCC3C2)C1.
What is the InChIKey of 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is MQPDBWCHAWVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-4-12(3-1)14-6-5-10-7-13-8-11(10)9-14/h10-13H,1-9H2.
What are the key properties of 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 130578140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).