4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

C10H17N3O2 — CID 79961225

IUPAC4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCOC2
InChIInChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)4-3-6-15-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyHAHRJZXHOGIFQY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds2

About 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79961225) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79961225
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCCCN1C(=O)N=C(N)C12CCCOC2
InChIInChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)4-3-6-15-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyHAHRJZXHOGIFQY-UHFFFAOYSA-N
XLogP0.74
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79961225) is 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is CCCN1C(=O)N=C(N)C12CCCOC2.
What is the InChIKey of 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is HAHRJZXHOGIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)4-3-6-15-7-10/h2-7H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propyl-9-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79961225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).