1-[4-(aziridin-2-yl)phenyl]ethanone

C10H11NO — CID 138489509

IUPAC1-[4-(aziridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CN2)cc1
InChIInChI=1S/C10H11NO/c1-7(12)8-2-4-9(5-3-8)10-6-11-10/h2-5,10-11H,6H2,1H3
InChIKeyVKYVZKKONHSTRP-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds2

About 1-[4-(aziridin-2-yl)phenyl]ethanone

1-[4-(aziridin-2-yl)phenyl]ethanone (PubChem CID 138489509) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[4-(aziridin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(aziridin-2-yl)phenyl]ethanone
PubChem CID138489509
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-[4-(aziridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CN2)cc1
InChIInChI=1S/C10H11NO/c1-7(12)8-2-4-9(5-3-8)10-6-11-10/h2-5,10-11H,6H2,1H3
InChIKeyVKYVZKKONHSTRP-UHFFFAOYSA-N
XLogP1.53
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.53
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

acetic acid;2,5-diphenylpiperazine
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CID 83404173
4-(4-acetylphenyl)pyrrolidin-2-one
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1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
1-[4-(2-fluorocyclobutyl)phenyl]ethanone
CID 115019007
1-[4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]ethanone
CID 57224737
4-(5-oxopiperazin-2-yl)benzoic acid
CID 139913294

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aziridin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(aziridin-2-yl)phenyl]ethanone (CID 138489509) is 1-[4-(aziridin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(aziridin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(aziridin-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2CN2)cc1.
What is the InChIKey of 1-[4-(aziridin-2-yl)phenyl]ethanone?
The InChIKey is VKYVZKKONHSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(12)8-2-4-9(5-3-8)10-6-11-10/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-[4-(aziridin-2-yl)phenyl]ethanone?
1-[4-(aziridin-2-yl)phenyl]ethanone has a molecular weight of 161.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aziridin-2-yl)phenyl]ethanone is sourced from PubChem (CID 138489509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).