1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone

C10H17NO — CID 170053654

IUPAC1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C2CC2)[C@@H]1C(C)C
InChIInChI=1S/C10H17NO/c1-6(2)9-10(8-4-5-8)11(9)7(3)12/h6,8-10H,4-5H2,1-3H3/t9-,10+,11?/m0/s1
InChIKeyWCGOZSLTQRXLFU-MTULOOOASA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds2

About 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone

1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone (PubChem CID 170053654) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone
PubChem CID170053654
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C2CC2)[C@@H]1C(C)C
InChIInChI=1S/C10H17NO/c1-6(2)9-10(8-4-5-8)11(9)7(3)12/h6,8-10H,4-5H2,1-3H3/t9-,10+,11?/m0/s1
InChIKeyWCGOZSLTQRXLFU-MTULOOOASA-N
XLogP1.65
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
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

1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-[4-(1-cyclopropylethyl)piperazin-1-yl]ethanone
CID 110708739
1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone
CID 170293881
propan-2-yl 1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 69197311
propan-2-yl 1-acetylaziridine-2-carboxylate
CID 45085775
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
methyl N-[(2S)-3-methyl-1-oxo-1-[(1S,3S,4R)-3-propan-2-yl-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 66831134
methyl N-[(2S)-3-methyl-1-oxo-1-[(1S,3R,4R)-3-propan-2-yl-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate
CID 58300269

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone (CID 170053654) is 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone is CC(=O)N1[C@H](C2CC2)[C@@H]1C(C)C.
What is the InChIKey of 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone?
The InChIKey is WCGOZSLTQRXLFU-MTULOOOASA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)9-10(8-4-5-8)11(9)7(3)12/h6,8-10H,4-5H2,1-3H3/t9-,10+,11?/m0/s1.
What are the key properties of 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone?
1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-cyclopropyl-3-propan-2-ylaziridin-1-yl]ethanone is sourced from PubChem (CID 170053654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).