(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde

C19H21NO — CID 174601428

IUPAC(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde
SMILESC[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1C=O
InChIInChI=1S/C19H21NO/c1-14-11-18(20-19(14)13-21)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13-14,18-20H,11-12H2,1H3/t14-,18+,19?/m1/s1
InChIKeyZHNSLLKJGOJFRV-FQPPOJKCSA-N
MW279.38 g/mol
LogP3.46
Rot. Bonds4

About (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde

(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde (PubChem CID 174601428) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde
PubChem CID174601428
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde
SMILESC[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1C=O
InChIInChI=1S/C19H21NO/c1-14-11-18(20-19(14)13-21)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13-14,18-20H,11-12H2,1H3/t14-,18+,19?/m1/s1
InChIKeyZHNSLLKJGOJFRV-FQPPOJKCSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
CID 143719686
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
(3S,5R)-3-(hydroxymethyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-ol
CID 129189553
(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
CID 143719660
hydron;1-[(3-methylcyclopentyl)methyl]-4-phenylbenzene
CID 175255375
(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
CID 174480372
[(5S)-3-formyl-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidin-1-yl]-methylborinic acid
CID 123485872
(3S,5R,7S)-7-benzyl-5-but-3-enyl-3-methyl-1,4-diazepan-2-one
CID 101400822
3-benzoyl-1-[(E)-2-phenylethenyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 67326426
(3S)-3-benzoyl-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 67326431
(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide
CID 124678443
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59299356

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde (CID 174601428) is (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde is C[C@@H]1C[C@@H](Cc2ccc(-c3ccccc3)cc2)NC1C=O.
What is the InChIKey of (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde?
The InChIKey is ZHNSLLKJGOJFRV-FQPPOJKCSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-11-18(20-19(14)13-21)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13-14,18-20H,11-12H2,1H3/t14-,18+,19?/m1/s1.
What are the key properties of (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde?
(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde has a molecular weight of 279.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174601428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).