1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride

C12H20ClN3O2 — CID 138039492

IUPAC1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1=NOC2(CCCNC2)C1)N1CCCC1
InChIInChI=1S/C12H19N3O2.ClH/c16-11(15-6-1-2-7-15)10-8-12(17-14-10)4-3-5-13-9-12;/h13H,1-9H2;1H
InChIKeyVJHBZCICSYOFET-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.93
Rot. Bonds1

About 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride

1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 138039492) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
PubChem CID138039492
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1=NOC2(CCCNC2)C1)N1CCCC1
InChIInChI=1S/C12H19N3O2.ClH/c16-11(15-6-1-2-7-15)10-8-12(17-14-10)4-3-5-13-9-12;/h13H,1-9H2;1H
InChIKeyVJHBZCICSYOFET-UHFFFAOYSA-N
XLogP0.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
N-cyclopropyl-N-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 138039499
N-(2-fluorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134078676
N-cyclobutyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134069854
(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490819
(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97449276
N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 167807743
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97408003
[3-(2,9-diazaspiro[4.5]decane-2-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 154888814
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 86633507

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride (CID 138039492) is 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(C1=NOC2(CCCNC2)C1)N1CCCC1.
What is the InChIKey of 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is VJHBZCICSYOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c16-11(15-6-1-2-7-15)10-8-12(17-14-10)4-3-5-13-9-12;/h13H,1-9H2;1H.
What are the key properties of 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride?
1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 138039492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).