(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone

C15H21NO3 — CID 82552949

IUPAC(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1cc(C(=O)C2CCCN2)ccc1OC(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)19-13-7-6-11(9-14(13)18-3)15(17)12-5-4-8-16-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyUDLJISGGJUYYEX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds5

About (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone

(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82552949) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82552949
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCOc1cc(C(=O)C2CCCN2)ccc1OC(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)19-13-7-6-11(9-14(13)18-3)15(17)12-5-4-8-16-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3
InChIKeyUDLJISGGJUYYEX-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82550245
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone (CID 82552949) is (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone is COc1cc(C(=O)C2CCCN2)ccc1OC(C)C.
What is the InChIKey of (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is UDLJISGGJUYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)19-13-7-6-11(9-14(13)18-3)15(17)12-5-4-8-16-12/h6-7,9-10,12,16H,4-5,8H2,1-3H3.
What are the key properties of (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone?
(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82552949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).