(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone

C14H19NO2 — CID 116580623

IUPAC(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCCOc1cccc(C(=O)C2(C)CCCN2)c1
InChIInChI=1S/C14H19NO2/c1-3-17-12-7-4-6-11(10-12)13(16)14(2)8-5-9-15-14/h4,6-7,10,15H,3,5,8-9H2,1-2H3
InChIKeyXZJYNIHUAUUDBF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds4

About (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone

(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580623) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580623
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCCOc1cccc(C(=O)C2(C)CCCN2)c1
InChIInChI=1S/C14H19NO2/c1-3-17-12-7-4-6-11(10-12)13(16)14(2)8-5-9-15-14/h4,6-7,10,15H,3,5,8-9H2,1-2H3
InChIKeyXZJYNIHUAUUDBF-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
methyl 3-ethoxybenzoate
CID 3267781
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580623) is (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone is CCOc1cccc(C(=O)C2(C)CCCN2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is XZJYNIHUAUUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-12-7-4-6-11(10-12)13(16)14(2)8-5-9-15-14/h4,6-7,10,15H,3,5,8-9H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone?
(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).