(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene

C17H27N3O2 — CID 176979601

IUPAC(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene
SMILESCOC1=NO[C@@]2(CC[C@H](C)N(C)C[C@H]2N2C=CCC=C2C)C1
InChIInChI=1S/C17H27N3O2/c1-13-8-9-17(11-16(21-4)18-22-17)15(12-19(13)3)20-10-6-5-7-14(20)2/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3/t13-,15+,17-/m0/s1
InChIKeyCPOLLPYLNMNCBE-LXZKKBNFSA-N
MW305.42 g/mol
LogP2.71
Rot. Bonds1

About (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene

(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene (PubChem CID 176979601) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene.

Molecular Properties

Compound Name(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene
PubChem CID176979601
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene
SMILESCOC1=NO[C@@]2(CC[C@H](C)N(C)C[C@H]2N2C=CCC=C2C)C1
InChIInChI=1S/C17H27N3O2/c1-13-8-9-17(11-16(21-4)18-22-17)15(12-19(13)3)20-10-6-5-7-14(20)2/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3/t13-,15+,17-/m0/s1
InChIKeyCPOLLPYLNMNCBE-LXZKKBNFSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene?
The IUPAC name of (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene (CID 176979601) is (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene.
What is the SMILES notation for (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene?
The canonical SMILES for (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene is COC1=NO[C@@]2(CC[C@H](C)N(C)C[C@H]2N2C=CCC=C2C)C1.
What is the InChIKey of (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene?
The InChIKey is CPOLLPYLNMNCBE-LXZKKBNFSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-8-9-17(11-16(21-4)18-22-17)15(12-19(13)3)20-10-6-5-7-14(20)2/h6-7,10,13,15H,5,8-9,11-12H2,1-4H3/t13-,15+,17-/m0/s1.
What are the key properties of (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene?
(5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene has a molecular weight of 305.42 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S,11R)-3-methoxy-8,9-dimethyl-11-(2-methyl-4H-pyridin-1-yl)-1-oxa-2,9-diazaspiro[4.6]undec-2-ene is sourced from PubChem (CID 176979601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).