1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione

C16H15NO3 — CID 11673421

IUPAC1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
SMILESC[C@H](ON1C(=O)CC12C=CC(=O)C=C2)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-12(13-5-3-2-4-6-13)20-17-15(19)11-16(17)9-7-14(18)8-10-16/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyRTWDQMXKZLGIQN-LBPRGKRZSA-N
MW269.30 g/mol
LogP2.35
Rot. Bonds3

About 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione

1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione (PubChem CID 11673421) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione.

Molecular Properties

Compound Name1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
PubChem CID11673421
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
SMILESC[C@H](ON1C(=O)CC12C=CC(=O)C=C2)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-12(13-5-3-2-4-6-13)20-17-15(19)11-16(17)9-7-14(18)8-10-16/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyRTWDQMXKZLGIQN-LBPRGKRZSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The IUPAC name of 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione (CID 11673421) is 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione.
What is the SMILES notation for 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The canonical SMILES for 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione is C[C@H](ON1C(=O)CC12C=CC(=O)C=C2)c1ccccc1.
What is the InChIKey of 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
The InChIKey is RTWDQMXKZLGIQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(13-5-3-2-4-6-13)20-17-15(19)11-16(17)9-7-14(18)8-10-16/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione?
1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione has a molecular weight of 269.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethoxy]-1-azaspiro[3.5]nona-5,8-diene-2,7-dione is sourced from PubChem (CID 11673421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).