4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one

C9H15N3O2 — CID 79967305

IUPAC4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C9H15N3O2/c1-6(2)12-8(13)11-7(10)9(12)3-4-14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyPEWWMHRQWIPSHO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.35
Rot. Bonds1

About 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one

4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967305) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967305
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESCC(C)N1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C9H15N3O2/c1-6(2)12-8(13)11-7(10)9(12)3-4-14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyPEWWMHRQWIPSHO-UHFFFAOYSA-N
XLogP0.35
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967305) is 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is CC(C)N1C(=O)N=C(N)C12CCOC2.
What is the InChIKey of 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is PEWWMHRQWIPSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)12-8(13)11-7(10)9(12)3-4-14-5-9/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).