1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone

C10H19NO — CID 102405794

IUPAC1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
SMILESCCC[C@H]1[C@H](CCC)N1C(C)=O
InChIInChI=1S/C10H19NO/c1-4-6-9-10(7-5-2)11(9)8(3)12/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyUMTCQFAFIYRHKZ-UWVGGRQHSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds4

About 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone

1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone (PubChem CID 102405794) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
PubChem CID102405794
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
SMILESCCC[C@H]1[C@H](CCC)N1C(C)=O
InChIInChI=1S/C10H19NO/c1-4-6-9-10(7-5-2)11(9)8(3)12/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyUMTCQFAFIYRHKZ-UWVGGRQHSA-N
XLogP2.19
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
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-(5-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
CID 75163093
1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate
CID 85373599
(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 10486942
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
1-(4-ethyl-2,6-dimethylpiperazin-1-yl)ethanone
CID 131132044
(4S,5S)-1,4-dimethyl-5-propylpyrrolidine-2-carboxylic acid
CID 142992119
1-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 123960456
4,5-dipropylcyclopentane-1,2,3-trione
CID 89372645
(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
CID 67340954

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone (CID 102405794) is 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone is CCC[C@H]1[C@H](CCC)N1C(C)=O.
What is the InChIKey of 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone?
The InChIKey is UMTCQFAFIYRHKZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-9-10(7-5-2)11(9)8(3)12/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone?
1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone is sourced from PubChem (CID 102405794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).