2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol

C18H32N2O2 — CID 138485667

IUPAC2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCC(C2C=C([C@@](C)(O)[C@@H]3CCCN3)CC2)N1
InChIInChI=1S/C18H32N2O2/c1-17(2,21)15-9-8-14(20-15)12-6-7-13(11-12)18(3,22)16-5-4-10-19-16/h11-12,14-16,19-22H,4-10H2,1-3H3/t12?,14?,15-,16-,18+/m0/s1
InChIKeyAOSDPAGAANHOTO-DBYXUXJWSA-N
MW308.47 g/mol
LogP1.72
Rot. Bonds4

About 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol

2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 138485667) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID138485667
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CCC(C2C=C([C@@](C)(O)[C@@H]3CCCN3)CC2)N1
InChIInChI=1S/C18H32N2O2/c1-17(2,21)15-9-8-14(20-15)12-6-7-13(11-12)18(3,22)16-5-4-10-19-16/h11-12,14-16,19-22H,4-10H2,1-3H3/t12?,14?,15-,16-,18+/m0/s1
InChIKeyAOSDPAGAANHOTO-DBYXUXJWSA-N
XLogP1.72
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol (CID 138485667) is 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CCC(C2C=C([C@@](C)(O)[C@@H]3CCCN3)CC2)N1.
What is the InChIKey of 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is AOSDPAGAANHOTO-DBYXUXJWSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-17(2,21)15-9-8-14(20-15)12-6-7-13(11-12)18(3,22)16-5-4-10-19-16/h11-12,14-16,19-22H,4-10H2,1-3H3/t12?,14?,15-,16-,18+/m0/s1.
What are the key properties of 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol?
2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 308.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-[3-[(1R)-1-hydroxy-1-[(2S)-pyrrolidin-2-yl]ethyl]cyclopent-2-en-1-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 138485667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).