2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol

C14H19NO — CID 44825386

IUPAC2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol
SMILESC[C@H]1CN[C@@H](CCO)/C1=C\c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-15-14(7-8-16)13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14-16H,7-8,10H2,1H3/b13-9-/t11-,14-/m0/s1
InChIKeyZZDHGVKHPFFKQC-DPUHMWKMSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol

2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol (PubChem CID 44825386) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol
PubChem CID44825386
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol
SMILESC[C@H]1CN[C@@H](CCO)/C1=C\c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-15-14(7-8-16)13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14-16H,7-8,10H2,1H3/b13-9-/t11-,14-/m0/s1
InChIKeyZZDHGVKHPFFKQC-DPUHMWKMSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol (CID 44825386) is 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol is C[C@H]1CN[C@@H](CCO)/C1=C\c1ccccc1.
What is the InChIKey of 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The InChIKey is ZZDHGVKHPFFKQC-DPUHMWKMSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-10-15-14(7-8-16)13(11)9-12-5-3-2-4-6-12/h2-6,9,11,14-16H,7-8,10H2,1H3/b13-9-/t11-,14-/m0/s1.
What are the key properties of 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol has a molecular weight of 217.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3Z,4R)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 44825386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).