(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate

C16H24NO2- — CID 102310626

IUPAC(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate
SMILESCC1=NC[C@H](C)[C@@H](C)C[C@@]12CCC(C(=O)[O-])=C[C@@H]2C
InChIInChI=1S/C16H25NO2/c1-10-8-16(13(4)17-9-11(10)2)6-5-14(15(18)19)7-12(16)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,18,19)/p-1/t10-,11-,12-,16+/m0/s1
InChIKeyXXRLWJXLVRZAIC-CENBSLRLSA-M
MW262.37 g/mol
LogP2.22
Rot. Bonds1

About (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate

(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate (PubChem CID 102310626) has the molecular formula C16H24NO2- and a molecular weight of 262.37 g/mol. Its IUPAC name is (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate.

Molecular Properties

Compound Name(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate
PubChem CID102310626
Molecular FormulaC16H24NO2-
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate
SMILESCC1=NC[C@H](C)[C@@H](C)C[C@@]12CCC(C(=O)[O-])=C[C@@H]2C
InChIInChI=1S/C16H25NO2/c1-10-8-16(13(4)17-9-11(10)2)6-5-14(15(18)19)7-12(16)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,18,19)/p-1/t10-,11-,12-,16+/m0/s1
InChIKeyXXRLWJXLVRZAIC-CENBSLRLSA-M
XLogP2.22
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate with MolForge

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Related Compounds

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CID 162987601
4-methyl-2-(9,24,32-trihydroxy-10,13,19,20-tetramethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl)-2H-furan-5-one
CID 163000530
(2S)-2-amino-2-[(1S,7S,10R,11S,14R,23S,24R,26R,31R,32S,33R,34R,35S)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-dien-29-yl]acetic acid
CID 101100131
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(2E)-2-[(3aR,8aS)-3a,6-dimethyl-2,3,4,5,8,8a-hexahydroazulen-1-ylidene]propanoate
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Frequently Asked Questions

What is the IUPAC name of (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate?
The IUPAC name of (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate (CID 102310626) is (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate.
What is the SMILES notation for (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate?
The canonical SMILES for (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate is CC1=NC[C@H](C)[C@@H](C)C[C@@]12CCC(C(=O)[O-])=C[C@@H]2C.
What is the InChIKey of (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate?
The InChIKey is XXRLWJXLVRZAIC-CENBSLRLSA-M. The full InChI is InChI=1S/C16H25NO2/c1-10-8-16(13(4)17-9-11(10)2)6-5-14(15(18)19)7-12(16)3/h7,10-12H,5-6,8-9H2,1-4H3,(H,18,19)/p-1/t10-,11-,12-,16+/m0/s1.
What are the key properties of (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate?
(5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate has a molecular weight of 262.37 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,10R,11S)-5,7,10,11-tetramethyl-8-azaspiro[5.6]dodeca-3,7-diene-3-carboxylate is sourced from PubChem (CID 102310626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).