2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol

C16H23N3O — CID 118721310

IUPAC2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@@H]1c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C16H23N3O/c20-2-1-11-4-16(11)12-3-15(8-18-5-12)19-9-13-6-17-7-14(13)10-19/h3,5,8,11,13-14,16-17,20H,1-2,4,6-7,9-10H2/t11-,13-,14+,16-/m0/s1
InChIKeyPEAGCBDUMAQJJR-ZIEJDFEHSA-N
MW273.38 g/mol
LogP1.22
Rot. Bonds4

About 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol

2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol (PubChem CID 118721310) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol
PubChem CID118721310
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol
SMILESOCC[C@H]1C[C@@H]1c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C16H23N3O/c20-2-1-11-4-16(11)12-3-15(8-18-5-12)19-9-13-6-17-7-14(13)10-19/h3,5,8,11,13-14,16-17,20H,1-2,4,6-7,9-10H2/t11-,13-,14+,16-/m0/s1
InChIKeyPEAGCBDUMAQJJR-ZIEJDFEHSA-N
XLogP1.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol (CID 118721310) is 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol is OCC[C@H]1C[C@@H]1c1cncc(N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol?
The InChIKey is PEAGCBDUMAQJJR-ZIEJDFEHSA-N. The full InChI is InChI=1S/C16H23N3O/c20-2-1-11-4-16(11)12-3-15(8-18-5-12)19-9-13-6-17-7-14(13)10-19/h3,5,8,11,13-14,16-17,20H,1-2,4,6-7,9-10H2/t11-,13-,14+,16-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol?
2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol has a molecular weight of 273.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]cyclopropyl]ethanol is sourced from PubChem (CID 118721310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).