1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride

C10H16ClNO — CID 3053838

IUPAC1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCCC2CCC1N2.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H
InChIKeyZYFLQFXDHYWQMQ-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.84
Rot. Bonds1

About 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride

1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride (PubChem CID 3053838) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride
PubChem CID3053838
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride
SMILESCC(=O)C1=CCCC2CCC1N2.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H
InChIKeyZYFLQFXDHYWQMQ-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride (CID 3053838) is 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride is CC(=O)C1=CCCC2CCC1N2.Cl.
What is the InChIKey of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride?
The InChIKey is ZYFLQFXDHYWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H.
What are the key properties of 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride?
1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 3053838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).