(4-methoxyphenyl)-pyrrolidin-1-ylmethanone

C12H15NO2 — CID 795550

IUPAC(4-methoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKeyQTVNUTRPVMDAJC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds2

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

(4-methoxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 795550) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID795550
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4-methoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKeyQTVNUTRPVMDAJC-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methoxyphenyl)-pyrrolidin-1-ylmethanone (CID 795550) is (4-methoxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methoxyphenyl)-pyrrolidin-1-ylmethanone is COc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is QTVNUTRPVMDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-6-4-10(5-7-11)12(14)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3.
What are the key properties of (4-methoxyphenyl)-pyrrolidin-1-ylmethanone?
(4-methoxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 205.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).