1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one

C10H17NO — CID 134258540

IUPAC1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@H]2CCC1C2
InChIInChI=1S/C10H17NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyGXYTVSZPBBXPPA-IENPIDJESA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds1

About 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one

1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one (PubChem CID 134258540) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one
PubChem CID134258540
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@H]2CCC1C2
InChIInChI=1S/C10H17NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyGXYTVSZPBBXPPA-IENPIDJESA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one (CID 134258540) is 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1C[C@H]2CCC1C2.
What is the InChIKey of 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one?
The InChIKey is GXYTVSZPBBXPPA-IENPIDJESA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one?
1-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one 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-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 134258540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).