2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone

C12H20N2O2 — CID 102679333

IUPAC2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCCC2CNCC21
InChIInChI=1S/C12H20N2O2/c15-12(11-4-2-6-16-11)14-5-1-3-9-7-13-8-10(9)14/h9-11,13H,1-8H2/t9?,10?,11-/m0/s1
InChIKeyPRIDSAQTACNGDW-ILDUYXDCSA-N
MW224.30 g/mol
LogP0.38
Rot. Bonds1

About 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone (PubChem CID 102679333) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
PubChem CID102679333
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCCC2CNCC21
InChIInChI=1S/C12H20N2O2/c15-12(11-4-2-6-16-11)14-5-1-3-9-7-13-8-10(9)14/h9-11,13H,1-8H2/t9?,10?,11-/m0/s1
InChIKeyPRIDSAQTACNGDW-ILDUYXDCSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-cyclopentylmethanone
CID 97377565
(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402729
(2S)-1-ethyl-N-({1-[(2R)-tetrahydrofuran-2-ylcarbonyl]piperidin-4-yl}methyl)pyrrolidine-2-carboxamide
CID 132424992
(2R,3R)-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-propan-2-yloxolane-2-carboxamide
CID 136582577
(2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 129554447
(4aS,7aS)-4-(cyclopentylmethyl)-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 125252970
3,8-diazabicyclo[3.2.1]octan-8-yl-[(2S)-oxolan-2-yl]methanone
CID 152657152
[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 154498242
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide
CID 43523132
N-(3-azabicyclo[3.1.0]hexan-6-yl)oxolane-2-carboxamide
CID 43594328
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(oxolan-2-yl)methanone
CID 43595443
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(oxolan-2-yl)methanone
CID 43596127

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone (CID 102679333) is 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCCC2CNCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone?
The InChIKey is PRIDSAQTACNGDW-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(11-4-2-6-16-11)14-5-1-3-9-7-13-8-10(9)14/h9-11,13H,1-8H2/t9?,10?,11-/m0/s1.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone?
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 102679333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).