(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone

C14H19NO2 — CID 116568364

IUPAC(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCC(C)Oc1cccc(C(=O)C2CCNC2)c1
InChIInChI=1S/C14H19NO2/c1-10(2)17-13-5-3-4-11(8-13)14(16)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3
InChIKeyBXYMHYUBVKDHKT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds4

About (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone

(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568364) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568364
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCC(C)Oc1cccc(C(=O)C2CCNC2)c1
InChIInChI=1S/C14H19NO2/c1-10(2)17-13-5-3-4-11(8-13)14(16)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3
InChIKeyBXYMHYUBVKDHKT-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568424
3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone (CID 116568364) is (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone is CC(C)Oc1cccc(C(=O)C2CCNC2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is BXYMHYUBVKDHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)17-13-5-3-4-11(8-13)14(16)12-6-7-15-9-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone?
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).