3-methyl-2-naphthalen-1-yl-2H-azirine

C13H11N — CID 11217607

IUPAC3-methyl-2-naphthalen-1-yl-2H-azirine
SMILESCC1=NC1c1cccc2ccccc12
InChIInChI=1S/C13H11N/c1-9-13(14-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,1H3
InChIKeyYJTGRGRCRYAQQU-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.36
Rot. Bonds1

About 3-methyl-2-naphthalen-1-yl-2H-azirine

3-methyl-2-naphthalen-1-yl-2H-azirine (PubChem CID 11217607) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-yl-2H-azirine.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-yl-2H-azirine
PubChem CID11217607
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name3-methyl-2-naphthalen-1-yl-2H-azirine
SMILESCC1=NC1c1cccc2ccccc12
InChIInChI=1S/C13H11N/c1-9-13(14-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,1H3
InChIKeyYJTGRGRCRYAQQU-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 135228169
5-naphthalen-1-yl-5H-tetrazole
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(2R,3R)-N,4-dimethyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
CID 101112915
(2R,3R)-4-methyl-3-naphthalen-1-yl-N-phenyl-2,3-dihydroazete-2-carboxamide
CID 101112923
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
(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
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
CID 123204598
N-butyl-4-methyl-3-naphthalen-1-yl-2,3-dihydroazete-2-carboxamide
CID 15432629
2-(cyclopropylamino)-4-naphthalen-1-yl-1,4-dihydroimidazol-5-one
CID 82997789
2-naphthalen-1-ylcyclopropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-yl-2H-azirine?
The IUPAC name of 3-methyl-2-naphthalen-1-yl-2H-azirine (CID 11217607) is 3-methyl-2-naphthalen-1-yl-2H-azirine.
What is the SMILES notation for 3-methyl-2-naphthalen-1-yl-2H-azirine?
The canonical SMILES for 3-methyl-2-naphthalen-1-yl-2H-azirine is CC1=NC1c1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-naphthalen-1-yl-2H-azirine?
The InChIKey is YJTGRGRCRYAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-9-13(14-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,1H3.
What are the key properties of 3-methyl-2-naphthalen-1-yl-2H-azirine?
3-methyl-2-naphthalen-1-yl-2H-azirine has a molecular weight of 181.24 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-yl-2H-azirine is sourced from PubChem (CID 11217607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).