2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride

C9H15ClN2O2 — CID 138707075

IUPAC2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
SMILESCCCC1=NC2(CCOC2)C(=O)N1.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-2-3-7-10-8(12)9(11-7)4-5-13-6-9;/h2-6H2,1H3,(H,10,11,12);1H
InChIKeyOPPGNGBMAASUJB-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.90
Rot. Bonds2

About 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride

2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride (PubChem CID 138707075) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride.

Molecular Properties

Compound Name2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
PubChem CID138707075
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride
SMILESCCCC1=NC2(CCOC2)C(=O)N1.Cl
InChIInChI=1S/C9H14N2O2.ClH/c1-2-3-7-10-8(12)9(11-7)4-5-13-6-9;/h2-6H2,1H3,(H,10,11,12);1H
InChIKeyOPPGNGBMAASUJB-UHFFFAOYSA-N
XLogP0.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The IUPAC name of 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride (CID 138707075) is 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride.
What is the SMILES notation for 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The canonical SMILES for 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride is CCCC1=NC2(CCOC2)C(=O)N1.Cl.
What is the InChIKey of 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
The InChIKey is OPPGNGBMAASUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c1-2-3-7-10-8(12)9(11-7)4-5-13-6-9;/h2-6H2,1H3,(H,10,11,12);1H.
What are the key properties of 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride?
2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-7-oxa-1,3-diazaspiro[4.4]non-1-en-4-one;hydrochloride is sourced from PubChem (CID 138707075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).