(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine

C13H17N — CID 101369761

IUPAC(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
SMILESC=CC[C@@]1(C)CN1Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-9-13(2)11-14(13)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3/t13-,14?/m0/s1
InChIKeySLKPTGLKEKKADA-LSLKUGRBSA-N
MW187.29 g/mol
LogP2.84
Rot. Bonds4

About (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine

(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine (PubChem CID 101369761) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
PubChem CID101369761
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
SMILESC=CC[C@@]1(C)CN1Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-9-13(2)11-14(13)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3/t13-,14?/m0/s1
InChIKeySLKPTGLKEKKADA-LSLKUGRBSA-N
XLogP2.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-4-benzyl-3-methyl-3-prop-2-enylpiperazin-1-yl]-(4-methoxyphenyl)methanone
CID 89317961
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
CID 68572707
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
(2R,3R)-1-benzyl-2-ethyl-3-methyl-2-prop-2-enylaziridine
CID 101369766
2-benzyl-4-methyl-4-prop-2-enyl-1H-isoquinolin-3-one
CID 53468157
7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 11053540
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine?
The IUPAC name of (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine (CID 101369761) is (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine.
What is the SMILES notation for (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine?
The canonical SMILES for (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine is C=CC[C@@]1(C)CN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine?
The InChIKey is SLKPTGLKEKKADA-LSLKUGRBSA-N. The full InChI is InChI=1S/C13H17N/c1-3-9-13(2)11-14(13)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3/t13-,14?/m0/s1.
What are the key properties of (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine?
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine has a molecular weight of 187.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine is sourced from PubChem (CID 101369761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).