2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol

C10H17N3O2 — CID 129496964

IUPAC2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol
SMILESCO[C@H]1CN(CCO)C[C@H]1n1ccnc1
InChIInChI=1S/C10H17N3O2/c1-15-10-7-12(4-5-14)6-9(10)13-3-2-11-8-13/h2-3,8-10,14H,4-7H2,1H3/t9-,10+/m1/s1
InChIKeyFUSLCGWROFNZFP-ZJUUUORDSA-N
MW211.26 g/mol
LogP-0.25
Rot. Bonds4

About 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol

2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol (PubChem CID 129496964) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol
PubChem CID129496964
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol
SMILESCO[C@H]1CN(CCO)C[C@H]1n1ccnc1
InChIInChI=1S/C10H17N3O2/c1-15-10-7-12(4-5-14)6-9(10)13-3-2-11-8-13/h2-3,8-10,14H,4-7H2,1H3/t9-,10+/m1/s1
InChIKeyFUSLCGWROFNZFP-ZJUUUORDSA-N
XLogP-0.25
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol (CID 129496964) is 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol is CO[C@H]1CN(CCO)C[C@H]1n1ccnc1.
What is the InChIKey of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol?
The InChIKey is FUSLCGWROFNZFP-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-15-10-7-12(4-5-14)6-9(10)13-3-2-11-8-13/h2-3,8-10,14H,4-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol?
2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidin-1-yl]ethanol is sourced from PubChem (CID 129496964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).