aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone

C15H15N3O3 — CID 27654

IUPACaziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
SMILESO=C(c1cc(C(=O)N2CC2)cc(C(=O)N2CC2)c1)N1CC1
InChIInChI=1S/C15H15N3O3/c19-13(16-1-2-16)10-7-11(14(20)17-3-4-17)9-12(8-10)15(21)18-5-6-18/h7-9H,1-6H2
InChIKeyLSNKTNHLGDDMLJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.05
Rot. Bonds3

About aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone

aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone (PubChem CID 27654) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Nameaziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
PubChem CID27654
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameaziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
SMILESO=C(c1cc(C(=O)N2CC2)cc(C(=O)N2CC2)c1)N1CC1
InChIInChI=1S/C15H15N3O3/c19-13(16-1-2-16)10-7-11(14(20)17-3-4-17)9-12(8-10)15(21)18-5-6-18/h7-9H,1-6H2
InChIKeyLSNKTNHLGDDMLJ-UHFFFAOYSA-N
XLogP0.05
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
[4-(3,5-dinitrobenzoyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone
CID 554389
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
3-[1,7-bis(3-carbonochloridoyl-5-hydroxybenzoyl)-2,3,5,6-tetrahydro-1,4,7-triazonine-4-carbonyl]-5-hydroxybenzoyl chloride
CID 54135782
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
methyl 4-(3,5-dibromobenzoyl)piperazine-1-carboxylate
CID 103908088
4-(3,5-dibromobenzoyl)piperazine-1-sulfonamide
CID 103908474

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone?
The IUPAC name of aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone (CID 27654) is aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone?
The canonical SMILES for aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone is O=C(c1cc(C(=O)N2CC2)cc(C(=O)N2CC2)c1)N1CC1.
What is the InChIKey of aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone?
The InChIKey is LSNKTNHLGDDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13(16-1-2-16)10-7-11(14(20)17-3-4-17)9-12(8-10)15(21)18-5-6-18/h7-9H,1-6H2.
What are the key properties of aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone?
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone has a molecular weight of 285.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 27654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).