1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine

C16H21N — CID 129194226

IUPAC1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine
SMILESC=C(N1CCCC1c1ccccc1)C1(C)CC1
InChIInChI=1S/C16H21N/c1-13(16(2)10-11-16)17-12-6-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3
InChIKeyAGNCZCMVTXPKNE-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.14
Rot. Bonds3

About 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine

1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine (PubChem CID 129194226) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine
PubChem CID129194226
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine
SMILESC=C(N1CCCC1c1ccccc1)C1(C)CC1
InChIInChI=1S/C16H21N/c1-13(16(2)10-11-16)17-12-6-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3
InChIKeyAGNCZCMVTXPKNE-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine?
The IUPAC name of 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine (CID 129194226) is 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine.
What is the SMILES notation for 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine?
The canonical SMILES for 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine is C=C(N1CCCC1c1ccccc1)C1(C)CC1.
What is the InChIKey of 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine?
The InChIKey is AGNCZCMVTXPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-13(16(2)10-11-16)17-12-6-9-15(17)14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3.
What are the key properties of 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine?
1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine has a molecular weight of 227.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine is sourced from PubChem (CID 129194226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).