2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine

C13H17NO — CID 15857664

IUPAC2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine
SMILESC=C1CN1[C@H](C)COCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-8-14(11)12(2)9-15-10-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3/t12-,14?/m1/s1
InChIKeyLFLGBBPSDJQWLJ-PUODRLBUSA-N
MW203.29 g/mol
LogP2.42
Rot. Bonds5

About 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine

2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine (PubChem CID 15857664) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine.

Molecular Properties

Compound Name2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine
PubChem CID15857664
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine
SMILESC=C1CN1[C@H](C)COCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11-8-14(11)12(2)9-15-10-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3/t12-,14?/m1/s1
InChIKeyLFLGBBPSDJQWLJ-PUODRLBUSA-N
XLogP2.42
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.42
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

4-[(2R)-1-phenylmethoxypropan-2-yl]-1,2,4,6-dioxadiazepan-5-one
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(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
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CID 89311949
CID 89311949
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine?
The IUPAC name of 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine (CID 15857664) is 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine.
What is the SMILES notation for 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine?
The canonical SMILES for 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine is C=C1CN1[C@H](C)COCc1ccccc1.
What is the InChIKey of 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine?
The InChIKey is LFLGBBPSDJQWLJ-PUODRLBUSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-8-14(11)12(2)9-15-10-13-6-4-3-5-7-13/h3-7,12H,1,8-10H2,2H3/t12-,14?/m1/s1.
What are the key properties of 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine?
2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine has a molecular weight of 203.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-[(2R)-1-phenylmethoxypropan-2-yl]aziridine is sourced from PubChem (CID 15857664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).