(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone

C15H21NO2 — CID 116592105

IUPAC(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H21NO2/c1-3-10-18-13-6-4-12(5-7-13)15(17)14-8-9-16-11(14)2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyRBYKAIYZSCDOJX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds5

About (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone

(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone (PubChem CID 116592105) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
PubChem CID116592105
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H21NO2/c1-3-10-18-13-6-4-12(5-7-13)15(17)14-8-9-16-11(14)2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyRBYKAIYZSCDOJX-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 107186902
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(1,1-dioxothian-2-yl)-(4-propoxyphenyl)methanone
CID 114971121
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
N-cyclohexyl-4-propoxybenzamide
CID 4938429
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone (CID 116592105) is (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CCNC2C)cc1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone?
The InChIKey is RBYKAIYZSCDOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-10-18-13-6-4-12(5-7-13)15(17)14-8-9-16-11(14)2/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone?
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116592105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).