2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine

C16H23N — CID 101376496

IUPAC2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
SMILESCC(C)=C(C)CC1CCCN1c1ccccc1
InChIInChI=1S/C16H23N/c1-13(2)14(3)12-16-10-7-11-17(16)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3
InChIKeyRQXKACJSOIDDRH-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.40
Rot. Bonds3

About 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine

2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine (PubChem CID 101376496) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
PubChem CID101376496
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
SMILESCC(C)=C(C)CC1CCCN1c1ccccc1
InChIInChI=1S/C16H23N/c1-13(2)14(3)12-16-10-7-11-17(16)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3
InChIKeyRQXKACJSOIDDRH-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-(1-phenylpyrrolidin-2-yl)prop-1-en-2-yl]silane
CID 135002130
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
CID 3072413
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
N',N'-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 3072404
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-[1-(4-propan-2-ylphenyl)pyrrolidin-2-yl]acetic acid
CID 117028588
(2R)-2-[(4-fluorophenyl)methyl]-1-phenylpyrrolidine
CID 134966567

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine?
The IUPAC name of 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine (CID 101376496) is 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine.
What is the SMILES notation for 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine?
The canonical SMILES for 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine is CC(C)=C(C)CC1CCCN1c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine?
The InChIKey is RQXKACJSOIDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13(2)14(3)12-16-10-7-11-17(16)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine?
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine is sourced from PubChem (CID 101376496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).