1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

C10H17NO — CID 176769050

IUPAC1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC(=O)N1CCC2CC21C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)10-6-9(10)4-5-11(10)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyAEQYFWFWQDCWRJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds1

About 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (PubChem CID 176769050) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
PubChem CID176769050
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC(=O)N1CCC2CC21C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)10-6-9(10)4-5-11(10)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyAEQYFWFWQDCWRJ-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone with MolForge

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Related Compounds

ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
1-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)ethanone
CID 170366318
(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
CID 170060595
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 68593661
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 166000459
(1S,5R)-2-[(2R)-2-hydroxy-3,3-dimethylbutanoyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 91268674
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
1-[(1R,5S)-1,4,4-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
CID 146136171
(1S,3S,6R,7R)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 129408696
(3S)-4-acetyl-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carboxylic acid
CID 102533934
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The IUPAC name of 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (CID 176769050) is 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.
What is the SMILES notation for 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The canonical SMILES for 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is CC(=O)N1CCC2CC21C(C)C.
What is the InChIKey of 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The InChIKey is AEQYFWFWQDCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)10-6-9(10)4-5-11(10)8(3)12/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is sourced from PubChem (CID 176769050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).