3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one

C15H21NO — CID 15309419

IUPAC3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one
SMILESCC(C)(C)C1C(=O)N1C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-14(2,3)12-13(17)16(12)15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyLZRSOZNMTULMHC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds2

About 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one

3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one (PubChem CID 15309419) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one
PubChem CID15309419
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one
SMILESCC(C)(C)C1C(=O)N1C(C)(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-14(2,3)12-13(17)16(12)15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3
InChIKeyLZRSOZNMTULMHC-UHFFFAOYSA-N
XLogP3.18
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
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

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1-(2-phenylpropan-2-yl)pyrrole
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(3R,3aR,7aR)-6-bromo-3-phenyl-2-(2-phenylpropan-2-yl)-3a,7a-dihydro-3H-isoindol-1-one
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CID 90800312
4-amino-1-(2-phenylpropan-2-yl)pyrrolidin-2-one
CID 168699128
2-(2-phenylpropan-2-yl)-1,4,2,3-dioxadiazinane-5,6-dione
CID 139644245
CID 53230682
CID 53230682
(3R,4S)-1-tert-butyl-3,4-diphenylazetidin-2-one
CID 135070728
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
CID 11172771

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one?
The IUPAC name of 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one (CID 15309419) is 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one?
The canonical SMILES for 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one is CC(C)(C)C1C(=O)N1C(C)(C)c1ccccc1.
What is the InChIKey of 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one?
The InChIKey is LZRSOZNMTULMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2,3)12-13(17)16(12)15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3.
What are the key properties of 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one?
3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-phenylpropan-2-yl)aziridin-2-one is sourced from PubChem (CID 15309419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).