ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C12H23NO2 — CID 143012237

IUPACethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC.CC.CCN1C(=O)C2C(C)C2C1=O
InChIInChI=1S/C8H11NO2.2C2H6/c1-3-9-7(10)5-4(2)6(5)8(9)11;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyOLXHHYIAUSICBS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.31
Rot. Bonds1

About ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 143012237) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Nameethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID143012237
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC.CC.CCN1C(=O)C2C(C)C2C1=O
InChIInChI=1S/C8H11NO2.2C2H6/c1-3-9-7(10)5-4(2)6(5)8(9)11;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3
InChIKeyOLXHHYIAUSICBS-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-8-methyl-2,8-diazaspiro(4.5)decane-1,3-dione
CID 87934
2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione hydrobromide
CID 87933
1-[4-(Pyrrolidin-1-ylcarbonyl)piperidin-1-yl]butan-1-one
CID 44141336
(4S)-N-cyclopropyl-1-methyl-N-(3-methylbutyl)-2-oxopiperidine-4-carboxamide
CID 93907361
3-[(3,3-Difluorocyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 132299892
3-(6-Fluorohex-1-yl)-3-azabicyclo[3.1 .0]hexane-2,4-dione
CID 23289981
3-(7,7-Difluoroheptyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 23289983
(1S,5R)-N,N-diethyl-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 145752119
1-(1-Methylpiperidine-4-carbonyl)pyrrolidin-2-one
CID 166438198
3-(3-Fluorobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 127013201
3-(3-Fluoropropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 131036106
3-Ethyl-6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-2-one
CID 144483621

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 143012237) is ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC.CC.CCN1C(=O)C2C(C)C2C1=O.
What is the InChIKey of ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is OLXHHYIAUSICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.2C2H6/c1-3-9-7(10)5-4(2)6(5)8(9)11;2*1-2/h4-6H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 213.32 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 143012237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).