1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

C17H25NO3 — CID 11493035

IUPAC1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyAGRVUDWDZKZCAA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11493035) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11493035
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(OC)c(OC)c1)N1CCCC1
InChIInChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyAGRVUDWDZKZCAA-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 11493035) is 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(OC)c(OC)c1)N1CCCC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is AGRVUDWDZKZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11493035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).