4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H19N3O — CID 79959667

IUPAC4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O/c1-8-3-2-6-12(7-8)10(13)14-11(16)15(12)9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14,16)
InChIKeyDPZWVZBXLCPDAW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds1

About 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959667) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959667
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1CCCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O/c1-8-3-2-6-12(7-8)10(13)14-11(16)15(12)9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14,16)
InChIKeyDPZWVZBXLCPDAW-UHFFFAOYSA-N
XLogP1.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959667) is 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1CCCC2(C1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DPZWVZBXLCPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-2-6-12(7-8)10(13)14-11(16)15(12)9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14,16).
What are the key properties of 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).