4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

C12H19N3O — CID 80700075

IUPAC4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1(C)CCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O/c1-11(2)5-6-12(7-11)9(13)14-10(16)15(12)8-3-4-8/h8H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBKCFLEDBEBQGSA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds1

About 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 80700075) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID80700075
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1(C)CCC2(C1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O/c1-11(2)5-6-12(7-11)9(13)14-10(16)15(12)8-3-4-8/h8H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBKCFLEDBEBQGSA-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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Related Compounds

4-amino-1-cyclopropyl-6,8,8-trimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 81313980
4-amino-1-cyclopropyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961387
4-amino-1-cyclopropyl-7-ethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961206
4-amino-8,8-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959479
4-amino-1,5-dicyclopropyl-5-(3-methylbutyl)imidazol-2-one
CID 114276158
4'-amino-1'-cyclopropylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazole]-2'-one
CID 79960470
4-amino-1-but-3-yn-2-yl-7,7,9,9-tetramethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 114420644
4-amino-1-cyclopropyl-9-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960267
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388563
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
CID 107150426

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 80700075) is 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is CC1(C)CCC2(C1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is BKCFLEDBEBQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(2)5-6-12(7-11)9(13)14-10(16)15(12)8-3-4-8/h8H,3-7H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-cyclopropyl-8,8-dimethyl-1,3-diazaspiro[4.4]non-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-8,8-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 80700075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).