1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one

C10H17NO — CID 54261478

IUPAC1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C2CCC1CC2
InChIInChI=1S/C10H17NO/c1-7(2)10(12)11-8-3-4-9(11)6-5-8/h7-9H,3-6H2,1-2H3
InChIKeyRDUWOKWYEVYUSJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds1

About 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one

1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one (PubChem CID 54261478) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
PubChem CID54261478
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C2CCC1CC2
InChIInChI=1S/C10H17NO/c1-7(2)10(12)11-8-3-4-9(11)6-5-8/h7-9H,3-6H2,1-2H3
InChIKeyRDUWOKWYEVYUSJ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-bromopropan-1-one
CID 124677062
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
2-methyl-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 126995610
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
CID 90627255
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 119328025
1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
CID 126972983
2-methyl-1-[(2S,6S)-2,4,6-trimethylpiperidin-1-yl]propan-1-one
CID 160985602
2-chloro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769060
2-bromo-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 107905266
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-oxopropanoic acid
CID 114898469
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498445

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one (CID 54261478) is 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one is CC(C)C(=O)N1C2CCC1CC2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one?
The InChIKey is RDUWOKWYEVYUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)10(12)11-8-3-4-9(11)6-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one?
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 54261478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).