3-ethyl-2-propyl-2H-azirine

C7H13N — CID 149465401

IUPAC3-ethyl-2-propyl-2H-azirine
SMILESCCCC1N=C1CC
InChIInChI=1S/C7H13N/c1-3-5-7-6(4-2)8-7/h7H,3-5H2,1-2H3
InChIKeyZAHZYDJOPPDVIN-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.02
Rot. Bonds3

About 3-ethyl-2-propyl-2H-azirine

3-ethyl-2-propyl-2H-azirine (PubChem CID 149465401) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethyl-2-propyl-2H-azirine.

Molecular Properties

Compound Name3-ethyl-2-propyl-2H-azirine
PubChem CID149465401
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethyl-2-propyl-2H-azirine
SMILESCCCC1N=C1CC
InChIInChI=1S/C7H13N/c1-3-5-7-6(4-2)8-7/h7H,3-5H2,1-2H3
InChIKeyZAHZYDJOPPDVIN-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(5-oxo-4-propyl-4H-1,3-oxazol-2-yl)phenyl]-4-propyl-4H-1,3-oxazol-5-one
CID 86111368
2-(1-methoxyethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952910
2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
CID 106952812
4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
CID 6429117
3-chloro-5-methyl-4-methylsulfonyl-2-propyl-2H-pyrrole
CID 163662967
2-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952802
1,2,3,4-tetraethyl-5-propylcyclopenta-1,3-diene
CID 154057871
2-(1-ethoxypropyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952938
(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
CID 102372571
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
1,1,2,4-tetrapropyl-4,5-dihydroimidazol-1-ium
CID 121348526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-2H-azirine?
The IUPAC name of 3-ethyl-2-propyl-2H-azirine (CID 149465401) is 3-ethyl-2-propyl-2H-azirine.
What is the SMILES notation for 3-ethyl-2-propyl-2H-azirine?
The canonical SMILES for 3-ethyl-2-propyl-2H-azirine is CCCC1N=C1CC.
What is the InChIKey of 3-ethyl-2-propyl-2H-azirine?
The InChIKey is ZAHZYDJOPPDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-7-6(4-2)8-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-2H-azirine?
3-ethyl-2-propyl-2H-azirine has a molecular weight of 111.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-2H-azirine is sourced from PubChem (CID 149465401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).