2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone

C10H15NO — CID 123508346

IUPAC2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
SMILESCC1=NC1CC(=O)C1CC(C)C1
InChIInChI=1S/C10H15NO/c1-6-3-8(4-6)10(12)5-9-7(2)11-9/h6,8-9H,3-5H2,1-2H3
InChIKeyQPHAPNXLWWWPMY-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone

2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone (PubChem CID 123508346) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
PubChem CID123508346
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone
SMILESCC1=NC1CC(=O)C1CC(C)C1
InChIInChI=1S/C10H15NO/c1-6-3-8(4-6)10(12)5-9-7(2)11-9/h6,8-9H,3-5H2,1-2H3
InChIKeyQPHAPNXLWWWPMY-UHFFFAOYSA-N
XLogP1.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59067701
2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067739
2-Azabicyclo[6.2.0]dec-1-en-7-one
CID 91255714
(3S,4S)-4-(butan-2-ylideneamino)-3-propylheptan-2-one
CID 118508526
3-Ethyl-7-methyl-2,3,5,6-tetrahydroazepin-4-one
CID 123754368
cyclopentyl-(3-methyl-2H-azirin-2-yl)methanone
CID 146353359
1-(5-cyclopropyl-3,4-dihydro-2H-pyrrol-3-yl)propan-1-one
CID 175612370
Ethanone, 1-[3,4-dihydro-5-(1-methylethyl)-2H-pyrrol-3-yl]-(9CI)
CID 13802413
cyclobutyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
CID 83963276
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylbutan-1-one
CID 83963279
2-Cyclobutyl-1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
CID 83963297
2,3-Ditert-butyl-7-methyl-2,3,5,6-tetrahydroazepin-4-one
CID 160477588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone?
The IUPAC name of 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone (CID 123508346) is 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone.
What is the SMILES notation for 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone?
The canonical SMILES for 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone is CC1=NC1CC(=O)C1CC(C)C1.
What is the InChIKey of 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone?
The InChIKey is QPHAPNXLWWWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-3-8(4-6)10(12)5-9-7(2)11-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone?
2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-azirin-2-yl)-1-(3-methylcyclobutyl)ethanone is sourced from PubChem (CID 123508346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).