2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

C11H20N2O — CID 178157120

IUPAC2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC2CCN(C3COC3)CC2C1
InChIInChI=1S/C11H20N2O/c1-12-4-9-2-3-13(6-10(9)5-12)11-7-14-8-11/h9-11H,2-8H2,1H3
InChIKeyBNKKELBHLQOMTR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.27
Rot. Bonds1

About 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 178157120) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID178157120
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CC2CCN(C3COC3)CC2C1
InChIInChI=1S/C11H20N2O/c1-12-4-9-2-3-13(6-10(9)5-12)11-7-14-8-11/h9-11H,2-8H2,1H3
InChIKeyBNKKELBHLQOMTR-UHFFFAOYSA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 142381359
(4aS,9aR)-2-(oxetan-3-yl)-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134789514
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
(3S)-3-methoxy-1-(oxetan-3-yl)pyrrolidine
CID 118553663
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664
3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexane
CID 123275553
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
(3aR,7aS)-5-piperidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 129494852
(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine
CID 118563690
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
CID 127721176
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (CID 178157120) is 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is CN1CC2CCN(C3COC3)CC2C1.
What is the InChIKey of 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is BNKKELBHLQOMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-4-9-2-3-13(6-10(9)5-12)11-7-14-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 196.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 178157120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).