1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone

C13H17NO — CID 15811784

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C13H17NO/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKeyWYVITBHTGZRJJI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone

1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 15811784) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID15811784
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C13H17NO/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKeyWYVITBHTGZRJJI-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone (CID 15811784) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone is Cc1ccc(C(=O)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is WYVITBHTGZRJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 203.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 15811784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).