(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C13H15NO2 — CID 142424231

IUPAC(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC3OC3C2)c1
InChIInChI=1S/C13H15NO2/c1-8-3-4-9(2)10(5-8)13(15)14-6-11-12(7-14)16-11/h3-5,11-12H,6-7H2,1-2H3
InChIKeyFALZUXUAWBUWIB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds1

About (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone

(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 142424231) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID142424231
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CC3OC3C2)c1
InChIInChI=1S/C13H15NO2/c1-8-3-4-9(2)10(5-8)13(15)14-6-11-12(7-14)16-11/h3-5,11-12H,6-7H2,1-2H3
InChIKeyFALZUXUAWBUWIB-UHFFFAOYSA-N
XLogP1.53
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-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

(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(5-amino-2-methylphenyl)methanone
CID 120636073
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914
[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 125139796
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 142424231) is (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone is Cc1ccc(C)c(C(=O)N2CC3OC3C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is FALZUXUAWBUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-3-4-9(2)10(5-8)13(15)14-6-11-12(7-14)16-11/h3-5,11-12H,6-7H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
(2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 142424231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).