(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H23NO3 — CID 106982097

IUPAC(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)16(7-8-17-10-16)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyYJOCWPIAOAHTIK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982097) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982097
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2(C(C)C)CCNC2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)16(7-8-17-10-16)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyYJOCWPIAOAHTIK-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(2,5-dimethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569471
(2-methoxy-4,6-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982144
(2-methoxy-3,4-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982309
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981241

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982097) is (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is COc1ccc(OC)c(C(=O)C2(C(C)C)CCNC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is YJOCWPIAOAHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)16(7-8-17-10-16)15(18)13-9-12(19-3)5-6-14(13)20-4/h5-6,9,11,17H,7-8,10H2,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).