4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one

C11H18N4O — CID 79968201

IUPAC4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCNCC2
InChIInChI=1S/C11H18N4O/c12-9-11(3-5-13-6-4-11)15(10(16)14-9)7-8-1-2-8/h8,13H,1-7H2,(H2,12,14,16)
InChIKeyABOFNADTSSJADV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one

4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 79968201) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID79968201
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESNC1=NC(=O)N(CC2CC2)C12CCNCC2
InChIInChI=1S/C11H18N4O/c12-9-11(3-5-13-6-4-11)15(10(16)14-9)7-8-1-2-8/h8,13H,1-7H2,(H2,12,14,16)
InChIKeyABOFNADTSSJADV-UHFFFAOYSA-N
XLogP0.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 79968201) is 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one is NC1=NC(=O)N(CC2CC2)C12CCNCC2.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ABOFNADTSSJADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-11(3-5-13-6-4-11)15(10(16)14-9)7-8-1-2-8/h8,13H,1-7H2,(H2,12,14,16).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79968201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).