(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone

C15H21NO3 — CID 592173

IUPAC(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCCOc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-3-10-19-13-7-6-12(11-14(13)18-2)15(17)16-8-4-5-9-16/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyFFCARDBZCPWAAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.72
Rot. Bonds5

About (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone

(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 592173) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID592173
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCCOc1ccc(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-3-10-19-13-7-6-12(11-14(13)18-2)15(17)16-8-4-5-9-16/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyFFCARDBZCPWAAO-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone (CID 592173) is (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone is CCCOc1ccc(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is FFCARDBZCPWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-10-19-13-7-6-12(11-14(13)18-2)15(17)16-8-4-5-9-16/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone?
(3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).