4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

C13H21ClN2O2 — CID 91812255

IUPAC4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCl.O=C1COC2(CC3CCC(C2)N3)CN1C1CC1
InChIInChI=1S/C13H20N2O2.ClH/c16-12-7-17-13(8-15(12)11-3-4-11)5-9-1-2-10(6-13)14-9;/h9-11,14H,1-8H2;1H
InChIKeyBTWHTDNZZSRIBY-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.08
Rot. Bonds1

About 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (PubChem CID 91812255) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.

Molecular Properties

Compound Name4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
PubChem CID91812255
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCl.O=C1COC2(CC3CCC(C2)N3)CN1C1CC1
InChIInChI=1S/C13H20N2O2.ClH/c16-12-7-17-13(8-15(12)11-3-4-11)5-9-1-2-10(6-13)14-9;/h9-11,14H,1-8H2;1H
InChIKeyBTWHTDNZZSRIBY-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The IUPAC name of 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (CID 91812255) is 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.
What is the SMILES notation for 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The canonical SMILES for 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is Cl.O=C1COC2(CC3CCC(C2)N3)CN1C1CC1.
What is the InChIKey of 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The InChIKey is BTWHTDNZZSRIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c16-12-7-17-13(8-15(12)11-3-4-11)5-9-1-2-10(6-13)14-9;/h9-11,14H,1-8H2;1H.
What are the key properties of 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-cyclopropylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is sourced from PubChem (CID 91812255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).