cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride

C12H21ClN2O2 — CID 118742018

IUPACcyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H20N2O2.ClH/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12;/h10,13H,1-9H2;1H
InChIKeyCERCAPFOZNOTSR-UHFFFAOYSA-N
MW260.76 g/mol
LogP0.80
Rot. Bonds1

About cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride

cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride (PubChem CID 118742018) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
PubChem CID118742018
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Namecyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C12H20N2O2.ClH/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12;/h10,13H,1-9H2;1H
InChIKeyCERCAPFOZNOTSR-UHFFFAOYSA-N
XLogP0.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The IUPAC name of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride (CID 118742018) is cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride.
What is the SMILES notation for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The canonical SMILES for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride is Cl.O=C(C1CC1)N1CCOC2(CCNCC2)C1.
What is the InChIKey of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The InChIKey is CERCAPFOZNOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c15-11(10-1-2-10)14-7-8-16-12(9-14)3-5-13-6-4-12;/h10,13H,1-9H2;1H.
What are the key properties of cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 118742018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).