7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone

C15H19NO2 — CID 116575878

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CC2CCC1N2
InChIInChI=1S/C15H19NO2/c1-2-18-14-6-4-3-5-11(14)15(17)12-9-10-7-8-13(12)16-10/h3-6,10,12-13,16H,2,7-9H2,1H3
InChIKeyDSXJQTQLVSITLO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds4

About 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone (PubChem CID 116575878) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone
PubChem CID116575878
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1CC2CCC1N2
InChIInChI=1S/C15H19NO2/c1-2-18-14-6-4-3-5-11(14)15(17)12-9-10-7-8-13(12)16-10/h3-6,10,12-13,16H,2,7-9H2,1H3
InChIKeyDSXJQTQLVSITLO-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
7-azabicyclo[2.2.1]heptan-2-yl-(4-ethylphenyl)methanone
CID 116576133
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
7-azabicyclo[2.2.1]heptan-2-yl-(3,4-dimethoxyphenyl)methanone
CID 116575997
2-ethoxybenzoyl bromide
CID 19426336
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
2-ethoxybenzoic acid;zinc
CID 172723273
2-ethoxybenzenecarboperoxoic acid
CID 22314606
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
CID 119459385

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone (CID 116575878) is 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)C1CC2CCC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone?
The InChIKey is DSXJQTQLVSITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-14-6-4-3-5-11(14)15(17)12-9-10-7-8-13(12)16-10/h3-6,10,12-13,16H,2,7-9H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 116575878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).