1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one

C10H17NO — CID 167481102

IUPAC1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2[C@H](C1)C2(C)C
InChIInChI=1S/C10H17NO/c1-4-9(12)11-5-7-8(6-11)10(7,2)3/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyGLDVSSCNBQZBME-JAMMHHFISA-N
MW167.25 g/mol
LogP1.51
Rot. Bonds1

About 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one

1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one (PubChem CID 167481102) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
PubChem CID167481102
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
SMILESCCC(=O)N1CC2[C@H](C1)C2(C)C
InChIInChI=1S/C10H17NO/c1-4-9(12)11-5-7-8(6-11)10(7,2)3/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyGLDVSSCNBQZBME-JAMMHHFISA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
CID 134571880
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone
CID 167480983
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]ethanone
CID 167481022
1-[(1R,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 98187750
(1-methylcyclopropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
CID 167481077
1-(3-bromo-4-methylpyrrolidin-1-yl)propan-1-one
CID 131185931
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 122536398
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propan-1-one
CID 74881668
1-[3-(chloromethyl)-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 164650053

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one?
The IUPAC name of 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one (CID 167481102) is 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one.
What is the SMILES notation for 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one?
The canonical SMILES for 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one is CCC(=O)N1CC2[C@H](C1)C2(C)C.
What is the InChIKey of 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one?
The InChIKey is GLDVSSCNBQZBME-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(12)11-5-7-8(6-11)10(7,2)3/h7-8H,4-6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one?
1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one is sourced from PubChem (CID 167481102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).