(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C11H19NO — CID 98815743

IUPAC(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC1CC(N2CC[C@H]3OCC[C@H]3C2)C1
InChIInChI=1S/C11H19NO/c1-2-10(3-1)12-6-4-11-9(8-12)5-7-13-11/h9-11H,1-8H2/t9-,11+/m0/s1
InChIKeyRVWYDDTVTTUIIO-GXSJLCMTSA-N
MW181.28 g/mol
LogP1.65
Rot. Bonds1

About (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 98815743) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID98815743
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC1CC(N2CC[C@H]3OCC[C@H]3C2)C1
InChIInChI=1S/C11H19NO/c1-2-10(3-1)12-6-4-11-9(8-12)5-7-13-11/h9-11H,1-8H2/t9-,11+/m0/s1
InChIKeyRVWYDDTVTTUIIO-GXSJLCMTSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine with MolForge

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Related Compounds

1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
CID 127721176
5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578140
(5aR,8aS)-7-cyclobutyl-4-cyclopropylsulfonyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97474061
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 21122216
1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
CID 130671896
(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
5-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 168927354
(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 131110765
2-cyclopropyloxetane
CID 102488279
2-oxa-1-azabicyclo[4.2.0]octane
CID 149252070
2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97478069
1-(4-cyclohexylmorpholin-2-yl)ethanamine
CID 115315020

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 98815743) is (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is C1CC(N2CC[C@H]3OCC[C@H]3C2)C1.
What is the InChIKey of (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is RVWYDDTVTTUIIO-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-10(3-1)12-6-4-11-9(8-12)5-7-13-11/h9-11H,1-8H2/t9-,11+/m0/s1.
What are the key properties of (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 181.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 98815743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).