[4-(aziridin-1-yl)phenyl]-phenylmethanone

C15H13NO — CID 102156745

IUPAC[4-(aziridin-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CC2)cc1
InChIInChI=1S/C15H13NO/c17-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-10-11-16/h1-9H,10-11H2
InChIKeyXFEFPDKRQABVDY-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.74
Rot. Bonds3

About [4-(aziridin-1-yl)phenyl]-phenylmethanone

[4-(aziridin-1-yl)phenyl]-phenylmethanone (PubChem CID 102156745) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(aziridin-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(aziridin-1-yl)phenyl]-phenylmethanone
PubChem CID102156745
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name[4-(aziridin-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CC2)cc1
InChIInChI=1S/C15H13NO/c17-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-10-11-16/h1-9H,10-11H2
InChIKeyXFEFPDKRQABVDY-UHFFFAOYSA-N
XLogP2.74
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
(4-benzoylphenyl)-(4-methylphenyl)-(4-pyrrolidin-1-ylphenyl)sulfanium
CID 171831003
diphenylmethanone
CID 3102
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of [4-(aziridin-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(aziridin-1-yl)phenyl]-phenylmethanone (CID 102156745) is [4-(aziridin-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(aziridin-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(aziridin-1-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(N2CC2)cc1.
What is the InChIKey of [4-(aziridin-1-yl)phenyl]-phenylmethanone?
The InChIKey is XFEFPDKRQABVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-10-11-16/h1-9H,10-11H2.
What are the key properties of [4-(aziridin-1-yl)phenyl]-phenylmethanone?
[4-(aziridin-1-yl)phenyl]-phenylmethanone has a molecular weight of 223.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aziridin-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 102156745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).