[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol

C17H17NO — CID 134965207

IUPAC[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCC=N1
InChIInChI=1S/C17H17NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13,16,19H,7,12H2/t16-/m0/s1
InChIKeyCTKICGUUECZYBR-INIZCTEOSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds3

About [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol

[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol (PubChem CID 134965207) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol
PubChem CID134965207
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1CCC=N1
InChIInChI=1S/C17H17NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13,16,19H,7,12H2/t16-/m0/s1
InChIKeyCTKICGUUECZYBR-INIZCTEOSA-N
XLogP3.16
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol (CID 134965207) is [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC=N1.
What is the InChIKey of [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol?
The InChIKey is CTKICGUUECZYBR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,13,16,19H,7,12H2/t16-/m0/s1.
What are the key properties of [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol?
[(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol has a molecular weight of 251.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,4-dihydro-2H-pyrrol-2-yl]-diphenylmethanol is sourced from PubChem (CID 134965207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).