1-(4-ethylphenyl)-2-methylidenepyrrolidine

C13H17N — CID 155197787

IUPAC1-(4-ethylphenyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-3-12-6-8-13(9-7-12)14-10-4-5-11(14)2/h6-9H,2-5,10H2,1H3
InChIKeyYRWHRWUMLZAHNK-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-ethylphenyl)-2-methylidenepyrrolidine

1-(4-ethylphenyl)-2-methylidenepyrrolidine (PubChem CID 155197787) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methylidenepyrrolidine
PubChem CID155197787
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(4-ethylphenyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1c1ccc(CC)cc1
InChIInChI=1S/C13H17N/c1-3-12-6-8-13(9-7-12)14-10-4-5-11(14)2/h6-9H,2-5,10H2,1H3
InChIKeyYRWHRWUMLZAHNK-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methylidenepyrrolidine?
The IUPAC name of 1-(4-ethylphenyl)-2-methylidenepyrrolidine (CID 155197787) is 1-(4-ethylphenyl)-2-methylidenepyrrolidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methylidenepyrrolidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methylidenepyrrolidine is C=C1CCCN1c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methylidenepyrrolidine?
The InChIKey is YRWHRWUMLZAHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-12-6-8-13(9-7-12)14-10-4-5-11(14)2/h6-9H,2-5,10H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-methylidenepyrrolidine?
1-(4-ethylphenyl)-2-methylidenepyrrolidine has a molecular weight of 187.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methylidenepyrrolidine is sourced from PubChem (CID 155197787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).