1-(1-propan-2-ylaziridin-2-yl)ethanone

C7H13NO — CID 160809757

IUPAC1-(1-propan-2-ylaziridin-2-yl)ethanone
SMILESCC(=O)C1CN1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)8-4-7(8)6(3)9/h5,7H,4H2,1-3H3
InChIKeyFRMCUWYYVVQUAT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds2

About 1-(1-propan-2-ylaziridin-2-yl)ethanone

1-(1-propan-2-ylaziridin-2-yl)ethanone (PubChem CID 160809757) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(1-propan-2-ylaziridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-ylaziridin-2-yl)ethanone
PubChem CID160809757
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(1-propan-2-ylaziridin-2-yl)ethanone
SMILESCC(=O)C1CN1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)8-4-7(8)6(3)9/h5,7H,4H2,1-3H3
InChIKeyFRMCUWYYVVQUAT-UHFFFAOYSA-N
XLogP0.67
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
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

1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366301
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 20737880
1-[(2S)-4-phenoxy-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 71207257
2-fluoro-1-propan-2-ylaziridine
CID 166046401
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
2-methyl-1-[4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
CID 177101815
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 118760260
(2S,4S)-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 50999186
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
CID 126689000
4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 140531930

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylaziridin-2-yl)ethanone?
The IUPAC name of 1-(1-propan-2-ylaziridin-2-yl)ethanone (CID 160809757) is 1-(1-propan-2-ylaziridin-2-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-ylaziridin-2-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-ylaziridin-2-yl)ethanone is CC(=O)C1CN1C(C)C.
What is the InChIKey of 1-(1-propan-2-ylaziridin-2-yl)ethanone?
The InChIKey is FRMCUWYYVVQUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)8-4-7(8)6(3)9/h5,7H,4H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylaziridin-2-yl)ethanone?
1-(1-propan-2-ylaziridin-2-yl)ethanone has a molecular weight of 127.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylaziridin-2-yl)ethanone is sourced from PubChem (CID 160809757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).