(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane

C14H12O — CID 71408013

IUPAC(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
SMILESC=C[C@@H]1O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C14H12O/c1-2-13-14(15-13)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,13-14H,1H2/t13-,14+/m0/s1
InChIKeyPZNPHGMODUXVPU-UONOGXRCSA-N
MW196.25 g/mol
LogP3.47
Rot. Bonds2

About (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane

(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane (PubChem CID 71408013) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane.

Molecular Properties

Compound Name(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
PubChem CID71408013
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
SMILESC=C[C@@H]1O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C14H12O/c1-2-13-14(15-13)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,13-14H,1H2/t13-,14+/m0/s1
InChIKeyPZNPHGMODUXVPU-UONOGXRCSA-N
XLogP3.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.47
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

2-(3-ethenyloxiran-2-yl)aniline
CID 139629004
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
[(1R,2R,4S,5R)-4-naphthalen-1-yl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 57164696
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
CID 101169290
3-naphthalen-1-yloxetan-2-one
CID 154509652
2-[(2S,3R)-3-ethenyloxiran-2-yl]pyridine
CID 93493906
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
(4S,5R)-2-[2-[(4S,5R)-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dinaphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 66552817
(3R,4S)-3-methyl-4-naphthalen-1-yl-1-prop-2-enylazetidin-2-one
CID 15666446

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane?
The IUPAC name of (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane (CID 71408013) is (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane.
What is the SMILES notation for (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane?
The canonical SMILES for (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane is C=C[C@@H]1O[C@@H]1c1cccc2ccccc12.
What is the InChIKey of (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane?
The InChIKey is PZNPHGMODUXVPU-UONOGXRCSA-N. The full InChI is InChI=1S/C14H12O/c1-2-13-14(15-13)12-9-5-7-10-6-3-4-8-11(10)12/h2-9,13-14H,1H2/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane?
(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane has a molecular weight of 196.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane is sourced from PubChem (CID 71408013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).