4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one

C12H19N3O — CID 79985069

IUPAC4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CCC2(C1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C12H19N3O/c1-8-4-5-12(6-8)10(13)14-11(16)15(12)7-9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,16)
InChIKeyOGDBITJGPGSHEH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds2

About 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79985069) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79985069
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC1CCC2(C1)C(N)=NC(=O)N2CC1CC1
InChIInChI=1S/C12H19N3O/c1-8-4-5-12(6-8)10(13)14-11(16)15(12)7-9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,16)
InChIKeyOGDBITJGPGSHEH-UHFFFAOYSA-N
XLogP1.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(cyclopropylmethyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985558
4-amino-1-(cyclopropylmethyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967350
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
4-amino-1-(cyclopropylmethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79968201
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-1-(2-methoxyethyl)-7-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968039
4-amino-8-methyl-1-(2-methylpropyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79961054
4-amino-1,8-diethyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961824
4-amino-1-(cyclopropylmethyl)-6,6-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79985561
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967026
4'-amino-1'-(cyclopropylmethyl)spiro[bicyclo[4.1.0]heptane-2,5'-imidazole]-2'-one
CID 112739896
4-amino-8-ethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967294

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79985069) is 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one is CC1CCC2(C1)C(N)=NC(=O)N2CC1CC1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is OGDBITJGPGSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-12(6-8)10(13)14-11(16)15(12)7-9-2-3-9/h8-9H,2-7H2,1H3,(H2,13,14,16).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79985069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).