4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C12H19N3O2 — CID 79960463

IUPAC4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O2/c1-11(2)7-12(5-6-17-11)9(13)14-10(16)15(12)8-3-4-8/h8H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBWKWDJPKOGEVIT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960463) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79960463
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1
InChIInChI=1S/C12H19N3O2/c1-11(2)7-12(5-6-17-11)9(13)14-10(16)15(12)8-3-4-8/h8H,3-7H2,1-2H3,(H2,13,14,16)
InChIKeyBWKWDJPKOGEVIT-UHFFFAOYSA-N
XLogP1.27
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79960463) is 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CC1(C)CC2(CCO1)C(N)=NC(=O)N2C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BWKWDJPKOGEVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-11(2)7-12(5-6-17-11)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-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).