(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone

C11H13NO2 — CID 11194838

IUPAC(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC2C)cc1
InChIInChI=1S/C11H13NO2/c1-8-7-12(8)11(13)9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyZDXJOYRESWPNFN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds2

About (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone

(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone (PubChem CID 11194838) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
PubChem CID11194838
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC2C)cc1
InChIInChI=1S/C11H13NO2/c1-8-7-12(8)11(13)9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyZDXJOYRESWPNFN-UHFFFAOYSA-N
XLogP1.54
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)-(2-methylaziridin-1-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

(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine
CID 177403154
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
(4-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740536
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone (CID 11194838) is (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone is COc1ccc(C(=O)N2CC2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone?
The InChIKey is ZDXJOYRESWPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-7-12(8)11(13)9-3-5-10(14-2)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone?
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone is sourced from PubChem (CID 11194838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).