(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol

C12H17NO — CID 11745454

IUPAC(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C12H17NO/c1-10-8-13(9-12(10,2)14)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyLHUGOAAYWQELOM-CMPLNLGQSA-N
MW191.27 g/mol
LogP1.89
Rot. Bonds1

About (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol

(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol (PubChem CID 11745454) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol
PubChem CID11745454
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C12H17NO/c1-10-8-13(9-12(10,2)14)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyLHUGOAAYWQELOM-CMPLNLGQSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol (CID 11745454) is (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol is C[C@H]1CN(c2ccccc2)C[C@@]1(C)O.
What is the InChIKey of (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol?
The InChIKey is LHUGOAAYWQELOM-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-8-13(9-12(10,2)14)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol?
(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol is sourced from PubChem (CID 11745454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).