aziridin-1-yl-[2-(methylamino)phenyl]methanone

C10H12N2O — CID 165349679

IUPACaziridin-1-yl-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CC1
InChIInChI=1S/C10H12N2O/c1-11-9-5-3-2-4-8(9)10(13)12-6-7-12/h2-5,11H,6-7H2,1H3
InChIKeyRDBRZXUTXWAEET-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds2

About aziridin-1-yl-[2-(methylamino)phenyl]methanone

aziridin-1-yl-[2-(methylamino)phenyl]methanone (PubChem CID 165349679) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is aziridin-1-yl-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Nameaziridin-1-yl-[2-(methylamino)phenyl]methanone
PubChem CID165349679
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Nameaziridin-1-yl-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CC1
InChIInChI=1S/C10H12N2O/c1-11-9-5-3-2-4-8(9)10(13)12-6-7-12/h2-5,11H,6-7H2,1H3
InChIKeyRDBRZXUTXWAEET-UHFFFAOYSA-N
XLogP1.18
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(3-fluorophenyl)-[4-[2-(methylamino)benzoyl]-1,4-diazepan-1-yl]methanone
CID 136547488
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-[2-(methylamino)phenyl]methanone?
The IUPAC name of aziridin-1-yl-[2-(methylamino)phenyl]methanone (CID 165349679) is aziridin-1-yl-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for aziridin-1-yl-[2-(methylamino)phenyl]methanone?
The canonical SMILES for aziridin-1-yl-[2-(methylamino)phenyl]methanone is CNc1ccccc1C(=O)N1CC1.
What is the InChIKey of aziridin-1-yl-[2-(methylamino)phenyl]methanone?
The InChIKey is RDBRZXUTXWAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-11-9-5-3-2-4-8(9)10(13)12-6-7-12/h2-5,11H,6-7H2,1H3.
What are the key properties of aziridin-1-yl-[2-(methylamino)phenyl]methanone?
aziridin-1-yl-[2-(methylamino)phenyl]methanone has a molecular weight of 176.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-[2-(methylamino)phenyl]methanone is sourced from PubChem (CID 165349679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).