1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone

C13H21NO — CID 116580723

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
SMILESNC1C2CCC(C2)C1C(=O)CC1CCC1
InChIInChI=1S/C13H21NO/c14-13-10-5-4-9(7-10)12(13)11(15)6-8-2-1-3-8/h8-10,12-13H,1-7,14H2
InChIKeyXKZMSDKOOVODEP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone (PubChem CID 116580723) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
PubChem CID116580723
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
SMILESNC1C2CCC(C2)C1C(=O)CC1CCC1
InChIInChI=1S/C13H21NO/c14-13-10-5-4-9(7-10)12(13)11(15)6-8-2-1-3-8/h8-10,12-13H,1-7,14H2
InChIKeyXKZMSDKOOVODEP-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone (CID 116580723) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone is NC1C2CCC(C2)C1C(=O)CC1CCC1.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone?
The InChIKey is XKZMSDKOOVODEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-13-10-5-4-9(7-10)12(13)11(15)6-8-2-1-3-8/h8-10,12-13H,1-7,14H2.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone has a molecular weight of 207.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone is sourced from PubChem (CID 116580723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).