(4-methylphenyl)-pyrrolidin-1-ylmethanone

C12H15NO — CID 721203

IUPAC(4-methylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKeyQXMOFZGGGOFRPH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds1

About (4-methylphenyl)-pyrrolidin-1-ylmethanone

(4-methylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 721203) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4-methylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID721203
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4-methylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKeyQXMOFZGGGOFRPH-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methylphenyl)-pyrrolidin-1-ylmethanone (CID 721203) is (4-methylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methylphenyl)-pyrrolidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-methylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is QXMOFZGGGOFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3.
What are the key properties of (4-methylphenyl)-pyrrolidin-1-ylmethanone?
(4-methylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 189.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 721203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).