1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one

C20H27NO — CID 67020381

IUPAC1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
SMILESC=C(C)c1ccc(C2CC3CCC(NC3)C2C(=O)CC)cc1
InChIInChI=1S/C20H27NO/c1-4-19(22)20-17(11-14-5-10-18(20)21-12-14)16-8-6-15(7-9-16)13(2)3/h6-9,14,17-18,20-21H,2,4-5,10-12H2,1,3H3
InChIKeyIOIFMJFBKXSQAO-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.17
Rot. Bonds4

About 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one

1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one (PubChem CID 67020381) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
PubChem CID67020381
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
SMILESC=C(C)c1ccc(C2CC3CCC(NC3)C2C(=O)CC)cc1
InChIInChI=1S/C20H27NO/c1-4-19(22)20-17(11-14-5-10-18(20)21-12-14)16-8-6-15(7-9-16)13(2)3/h6-9,14,17-18,20-21H,2,4-5,10-12H2,1,3H3
InChIKeyIOIFMJFBKXSQAO-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one with MolForge

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Related Compounds

1-[(3R,4S)-3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
CID 67020292
1-[3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
CID 67020293
1-[(1R,2S,3S,5R)-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 124524868
1-[(1R,2S,3S)-3-(4-but-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 70300233
methyl (2S)-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10469187
1-[(1R,2S,3S,5S)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10493966
1-[(3R,4S)-6-methyl-3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
CID 24895816
1-[3-(4-ethynylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 19366468
1-[(1R,2S,3S,5S)-3-[4-(1,5-dimethylpyrrol-2-yl)phenyl]-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 101101842
1-[(3S,4S)-6-benzyl-3-(4-methylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one
CID 67020357
(E)-but-2-enedioic acid;1-[(1R,2S,3S)-3-[4-[(E)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 70302538
1-[(1R,2S,3R)-3-(4-fluorophenyl)-7-hydroxy-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 68931182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one?
The IUPAC name of 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one (CID 67020381) is 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one is C=C(C)c1ccc(C2CC3CCC(NC3)C2C(=O)CC)cc1.
What is the InChIKey of 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one?
The InChIKey is IOIFMJFBKXSQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-19(22)20-17(11-14-5-10-18(20)21-12-14)16-8-6-15(7-9-16)13(2)3/h6-9,14,17-18,20-21H,2,4-5,10-12H2,1,3H3.
What are the key properties of 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one?
1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one has a molecular weight of 297.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-prop-1-en-2-ylphenyl)-6-azabicyclo[3.2.2]nonan-4-yl]propan-1-one is sourced from PubChem (CID 67020381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).