1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one

C10H15NO — CID 13050058

IUPAC1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2C=CC1C2
InChIInChI=1S/C10H15NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyDLZKASKZHQEGAE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.43
Rot. Bonds1

About 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one

1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one (PubChem CID 13050058) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one
PubChem CID13050058
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2C=CC1C2
InChIInChI=1S/C10H15NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3
InChIKeyDLZKASKZHQEGAE-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one (CID 13050058) is 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CC2C=CC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one?
The InChIKey is DLZKASKZHQEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(12)11-6-8-3-4-9(11)5-8/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one?
1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]hept-5-en-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 13050058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).