1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane

C15H25N3O — CID 142042698

IUPAC1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane
SMILESCC.O=C1NCN(C2=CCCC=C2)C12CCNCC2
InChIInChI=1S/C13H19N3O.C2H6/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-2/h2,4-5,14H,1,3,6-10H2,(H,15,17);1-2H3
InChIKeyLMBNOBICQKFHBS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane

1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane (PubChem CID 142042698) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane
PubChem CID142042698
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane
SMILESCC.O=C1NCN(C2=CCCC=C2)C12CCNCC2
InChIInChI=1S/C13H19N3O.C2H6/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-2/h2,4-5,14H,1,3,6-10H2,(H,15,17);1-2H3
InChIKeyLMBNOBICQKFHBS-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane (CID 142042698) is 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane is CC.O=C1NCN(C2=CCCC=C2)C12CCNCC2.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane?
The InChIKey is LMBNOBICQKFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.C2H6/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11;1-2/h2,4-5,14H,1,3,6-10H2,(H,15,17);1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane?
1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane has a molecular weight of 263.38 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-1,3,8-triazaspiro[4.5]decan-4-one;ethane is sourced from PubChem (CID 142042698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).