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

C14H19NO — CID 44825381

IUPAC2-[(2R,3Z,4S)-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-/m1/s1
InChIKeyZZDHGVKHPFFKQC-OIVWFDOYSA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds3

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

2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol (PubChem CID 44825381) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol
PubChem CID44825381
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(2R,3Z,4S)-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-/m1/s1
InChIKeyZZDHGVKHPFFKQC-OIVWFDOYSA-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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Related Compounds

(R)-2-(benzylamino)butan-1-ol
CID 927306
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
CID 122649220
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(-)-cis-2-Benzylaminocyclohexanemethanol
CID 853690
(2S)-2-(benzylamino)butan-1-ol
CID 927305
3-(Benzylamino)butan-1-ol
CID 10464904
2-((2S,4R,Z)-3-benzylidene-1-((S)-tert-butylsulfinyl)-4-methylpyrrolidin-2-yl)ethanol
CID 44825442
2-((2R,4R,Z)-3-benzylidene-4-methylpyrrolidin-2-yl)ethanol
CID 44825446
((2S,3R)-3-(4-Octylphenyl)pyrrolidin-2-yl)methanol
CID 126720664
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
6-Benzylamino-1-hexanol
CID 15133217
2-((2S,4R,Z)-3-benzylidene-4-methylpyrrolidin-2-yl)ethanol
CID 44825386

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol (CID 44825381) is 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol is C[C@@H]1CN[C@H](CCO)/C1=C\c1ccccc1.
What is the InChIKey of 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
The InChIKey is ZZDHGVKHPFFKQC-OIVWFDOYSA-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-/m1/s1.
What are the key properties of 2-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol?
2-[(2R,3Z,4S)-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-[(2R,3Z,4S)-3-benzylidene-4-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 44825381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).