1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine

C14H19N — CID 129050430

IUPAC1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
SMILESC=Cc1ccccc1CN1CCC(C)C1
InChIInChI=1S/C14H19N/c1-3-13-6-4-5-7-14(13)11-15-9-8-12(2)10-15/h3-7,12H,1,8-11H2,2H3
InChIKeyLEWJYHZUKJWUHJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.17
Rot. Bonds3

About 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine

1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine (PubChem CID 129050430) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
PubChem CID129050430
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
SMILESC=Cc1ccccc1CN1CCC(C)C1
InChIInChI=1S/C14H19N/c1-3-13-6-4-5-7-14(13)11-15-9-8-12(2)10-15/h3-7,12H,1,8-11H2,2H3
InChIKeyLEWJYHZUKJWUHJ-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R)-1-benzyl-3-methylpyrrolidine;propane
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1-[(2-bromophenyl)methyl]-3-methylpiperidine
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(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
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(3S)-3-methyl-1-prop-2-enylpyrrolidine
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ethane;1-[(3-ethyl-2-propylphenyl)methyl]-3-methylpyrrolidine
CID 142805008
3-[2-[(4-methylazepan-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77002011
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
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N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
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CID 23396939

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine?
The IUPAC name of 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine (CID 129050430) is 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine is C=Cc1ccccc1CN1CCC(C)C1.
What is the InChIKey of 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine?
The InChIKey is LEWJYHZUKJWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-13-6-4-5-7-14(13)11-15-9-8-12(2)10-15/h3-7,12H,1,8-11H2,2H3.
What are the key properties of 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine?
1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 129050430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).