ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one

C13H31N3O — CID 143440302

IUPACethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one
SMILESCC.CC.CC.CN1CCC2(C1)NCNC2=O
InChIInChI=1S/C7H13N3O.3C2H6/c1-10-3-2-7(4-10)6(11)8-5-9-7;3*1-2/h9H,2-5H2,1H3,(H,8,11);3*1-2H3
InChIKeyGBKLCVVEPGBEMP-UHFFFAOYSA-N
MW245.41 g/mol
LogP1.82
Rot. Bonds

About ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one

ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one (PubChem CID 143440302) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Nameethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one
PubChem CID143440302
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Nameethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one
SMILESCC.CC.CC.CN1CCC2(C1)NCNC2=O
InChIInChI=1S/C7H13N3O.3C2H6/c1-10-3-2-7(4-10)6(11)8-5-9-7;3*1-2/h9H,2-5H2,1H3,(H,8,11);3*1-2H3
InChIKeyGBKLCVVEPGBEMP-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one?
The IUPAC name of ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one (CID 143440302) is ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one.
What is the SMILES notation for ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one?
The canonical SMILES for ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one is CC.CC.CC.CN1CCC2(C1)NCNC2=O.
What is the InChIKey of ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one?
The InChIKey is GBKLCVVEPGBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.3C2H6/c1-10-3-2-7(4-10)6(11)8-5-9-7;3*1-2/h9H,2-5H2,1H3,(H,8,11);3*1-2H3.
What are the key properties of ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one?
ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one has a molecular weight of 245.41 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1,3,7-triazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 143440302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).