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

C9H13N3O2 — CID 79967426

IUPAC4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C9H13N3O2/c1-2-4-12-8(13)11-7(10)9(12)3-5-14-6-9/h2H,1,3-6H2,(H2,10,11,13)
InChIKeyIVMWVIDXPCIDOQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.12
Rot. Bonds2

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

4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (PubChem CID 79967426) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
PubChem CID79967426
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
SMILESC=CCN1C(=O)N=C(N)C12CCOC2
InChIInChI=1S/C9H13N3O2/c1-2-4-12-8(13)11-7(10)9(12)3-5-14-6-9/h2H,1,3-6H2,(H2,10,11,13)
InChIKeyIVMWVIDXPCIDOQ-UHFFFAOYSA-N
XLogP0.12
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one (CID 79967426) is 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is C=CCN1C(=O)N=C(N)C12CCOC2.
What is the InChIKey of 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is IVMWVIDXPCIDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-4-12-8(13)11-7(10)9(12)3-5-14-6-9/h2H,1,3-6H2,(H2,10,11,13).
What are the key properties of 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one?
4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-2-enyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79967426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).