(2-methoxypyrrolidin-1-yl)-phenylmethanone

C12H15NO2 — CID 15379430

IUPAC(2-methoxypyrrolidin-1-yl)-phenylmethanone
SMILESCOC1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-11-8-5-9-13(11)12(14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyREKAXFACWKYFBK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.90
Rot. Bonds2

About (2-methoxypyrrolidin-1-yl)-phenylmethanone

(2-methoxypyrrolidin-1-yl)-phenylmethanone (PubChem CID 15379430) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2-methoxypyrrolidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methoxypyrrolidin-1-yl)-phenylmethanone
PubChem CID15379430
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2-methoxypyrrolidin-1-yl)-phenylmethanone
SMILESCOC1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-11-8-5-9-13(11)12(14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyREKAXFACWKYFBK-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-Propylbenzamide
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N-Ethylbenzamide
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N,N-Dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrrolidin-1-yl)-phenylmethanone?
The IUPAC name of (2-methoxypyrrolidin-1-yl)-phenylmethanone (CID 15379430) is (2-methoxypyrrolidin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-methoxypyrrolidin-1-yl)-phenylmethanone?
The canonical SMILES for (2-methoxypyrrolidin-1-yl)-phenylmethanone is COC1CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2-methoxypyrrolidin-1-yl)-phenylmethanone?
The InChIKey is REKAXFACWKYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-8-5-9-13(11)12(14)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of (2-methoxypyrrolidin-1-yl)-phenylmethanone?
(2-methoxypyrrolidin-1-yl)-phenylmethanone has a molecular weight of 205.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrrolidin-1-yl)-phenylmethanone is sourced from PubChem (CID 15379430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).