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

C13H17NO — CID 22282369

IUPAC(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CC2C)cc1
InChIInChI=1S/C13H17NO/c1-3-4-11-5-7-12(8-6-11)13(15)14-9-10(14)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyWRMUPKPSIQPEDY-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.48
Rot. Bonds3

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

(2-methylaziridin-1-yl)-(4-propylphenyl)methanone (PubChem CID 22282369) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2-methylaziridin-1-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
PubChem CID22282369
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CC2C)cc1
InChIInChI=1S/C13H17NO/c1-3-4-11-5-7-12(8-6-11)13(15)14-9-10(14)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyWRMUPKPSIQPEDY-UHFFFAOYSA-N
XLogP2.48
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S)-4-amino-N,3-dihydroxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 23582244
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 43219533
[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-(4-propylphenyl)methanone
CID 97427224
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(4-propylphenyl)methanone
CID 90594845
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
(2S,3S)-N-hydroxy-3-methoxy-1-[4-(4-propylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 23582240
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of (2-methylaziridin-1-yl)-(4-propylphenyl)methanone?
The IUPAC name of (2-methylaziridin-1-yl)-(4-propylphenyl)methanone (CID 22282369) is (2-methylaziridin-1-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (2-methylaziridin-1-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (2-methylaziridin-1-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CC2C)cc1.
What is the InChIKey of (2-methylaziridin-1-yl)-(4-propylphenyl)methanone?
The InChIKey is WRMUPKPSIQPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-11-5-7-12(8-6-11)13(15)14-9-10(14)2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of (2-methylaziridin-1-yl)-(4-propylphenyl)methanone?
(2-methylaziridin-1-yl)-(4-propylphenyl)methanone has a molecular weight of 203.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylaziridin-1-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 22282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).