4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one

C13H21N3O — CID 79959447

IUPAC4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC1CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C13H21N3O/c1-9-3-2-7-13(8-6-9)11(14)15-12(17)16(13)10-4-5-10/h9-10H,2-8H2,1H3,(H2,14,15,17)
InChIKeyRJEMDFZDEMKUQX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds1

About 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one

4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959447) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
PubChem CID79959447
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one
SMILESCC1CCCC2(CC1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C13H21N3O/c1-9-3-2-7-13(8-6-9)11(14)15-12(17)16(13)10-4-5-10/h9-10H,2-8H2,1H3,(H2,14,15,17)
InChIKeyRJEMDFZDEMKUQX-UHFFFAOYSA-N
XLogP2.28
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
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-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one (CID 79959447) is 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one is CC1CCCC2(CC1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
The InChIKey is RJEMDFZDEMKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-3-2-7-13(8-6-9)11(14)15-12(17)16(13)10-4-5-10/h9-10H,2-8H2,1H3,(H2,14,15,17).
What are the key properties of 4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one?
4-amino-1-cyclopropyl-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.28, 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-8-methyl-1,3-diazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).