1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

C12H21NO — CID 174163893

IUPAC1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)C1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)13-11-4-5-12(13)7-10(6-11)9(3)14/h8,10-12H,4-7H2,1-3H3
InChIKeyJCDVMFHUZFQDLM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone

1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 174163893) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID174163893
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCC(=O)C1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)13-11-4-5-12(13)7-10(6-11)9(3)14/h8,10-12H,4-7H2,1-3H3
InChIKeyJCDVMFHUZFQDLM-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 174163893) is 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is CC(=O)C1CC2CCC(C1)N2C(C)C.
What is the InChIKey of 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is JCDVMFHUZFQDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)13-11-4-5-12(13)7-10(6-11)9(3)14/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone?
1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 174163893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).