(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone

C17H21NO2 — CID 122152021

IUPAC(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C3CC3)C2C2CC2)c1
InChIInChI=1S/C17H21NO2/c1-20-14-4-2-3-13(9-14)17(19)18-10-15(11-5-6-11)16(18)12-7-8-12/h2-4,9,11-12,15-16H,5-8,10H2,1H3
InChIKeyWYZQOMWXJRHWFK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.96
Rot. Bonds4

About (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone

(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 122152021) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID122152021
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C3CC3)C2C2CC2)c1
InChIInChI=1S/C17H21NO2/c1-20-14-4-2-3-13(9-14)17(19)18-10-15(11-5-6-11)16(18)12-7-8-12/h2-4,9,11-12,15-16H,5-8,10H2,1H3
InChIKeyWYZQOMWXJRHWFK-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

3-(3-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 3284316
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 102787808
(3-methoxyphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272689
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-methoxyphenyl)methanone
CID 66210256
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98750535
methyl (2S,4S)-4-methoxy-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 99984117
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433

Frequently Asked Questions

What is the IUPAC name of (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone (CID 122152021) is (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC(C3CC3)C2C2CC2)c1.
What is the InChIKey of (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is WYZQOMWXJRHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-14-4-2-3-13(9-14)17(19)18-10-15(11-5-6-11)16(18)12-7-8-12/h2-4,9,11-12,15-16H,5-8,10H2,1H3.
What are the key properties of (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone?
(2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dicyclopropylazetidin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 122152021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).