(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine

C14H19N — CID 102026040

IUPAC(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine
SMILESC=CCC[C@H]1CC[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H19N/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h2,4-8,13-15H,1,3,9-11H2/t13-,14-/m0/s1
InChIKeyXFMMYCXGAYTDKI-KBPBESRZSA-N
MW201.31 g/mol
LogP3.45
Rot. Bonds4

About (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine

(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine (PubChem CID 102026040) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine
PubChem CID102026040
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine
SMILESC=CCC[C@H]1CC[C@@H](c2ccccc2)N1
InChIInChI=1S/C14H19N/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h2,4-8,13-15H,1,3,9-11H2/t13-,14-/m0/s1
InChIKeyXFMMYCXGAYTDKI-KBPBESRZSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139265812
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
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4-(5-propylpyrrolidin-2-yl)phenol
CID 143549456
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6-phenylpiperidine-2-carbothialdehyde
CID 174443959
(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one
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2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane
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(3S,5R)-3-benzyl-5-but-3-enyl-1-(2-phenylsulfanylethyl)-1,4-diazepan-2-one
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(2S,5S)-2-ethyl-5-(4-fluorophenyl)pyrrolidine
CID 146633643

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine?
The IUPAC name of (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine (CID 102026040) is (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine?
The canonical SMILES for (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine is C=CCC[C@H]1CC[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine?
The InChIKey is XFMMYCXGAYTDKI-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h2,4-8,13-15H,1,3,9-11H2/t13-,14-/m0/s1.
What are the key properties of (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine?
(2S,5S)-2-but-3-enyl-5-phenylpyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-but-3-enyl-5-phenylpyrrolidine is sourced from PubChem (CID 102026040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).