7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one

C17H31N5O2 — CID 169184361

IUPAC7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(CNC(=O)C2)C1.CN1CCCC2(CNC(=O)N2)C1
InChIInChI=1S/C9H16N2O.C8H15N3O/c1-11-4-2-3-9(7-11)5-8(12)10-6-9;1-11-4-2-3-8(6-11)5-9-7(12)10-8/h2-7H2,1H3,(H,10,12);2-6H2,1H3,(H2,9,10,12)
InChIKeyCWUAMHGBXDVQTI-UHFFFAOYSA-N
MW337.47 g/mol
LogP-0.02
Rot. Bonds

About 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one

7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one (PubChem CID 169184361) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one
PubChem CID169184361
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(CNC(=O)C2)C1.CN1CCCC2(CNC(=O)N2)C1
InChIInChI=1S/C9H16N2O.C8H15N3O/c1-11-4-2-3-9(7-11)5-8(12)10-6-9;1-11-4-2-3-8(6-11)5-9-7(12)10-8/h2-7H2,1H3,(H,10,12);2-6H2,1H3,(H2,9,10,12)
InChIKeyCWUAMHGBXDVQTI-UHFFFAOYSA-N
XLogP-0.02
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one?
The IUPAC name of 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one (CID 169184361) is 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one is CN1CCCC2(CNC(=O)C2)C1.CN1CCCC2(CNC(=O)N2)C1.
What is the InChIKey of 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one?
The InChIKey is CWUAMHGBXDVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C8H15N3O/c1-11-4-2-3-9(7-11)5-8(12)10-6-9;1-11-4-2-3-8(6-11)5-9-7(12)10-8/h2-7H2,1H3,(H,10,12);2-6H2,1H3,(H2,9,10,12).
What are the key properties of 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one?
7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one has a molecular weight of 337.47 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,7-diazaspiro[4.5]decan-3-one;9-methyl-1,3,9-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 169184361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).