8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride

C14H21ClN2O4 — CID 154922759

IUPAC8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OCC2(CCN(C(=O)[C@@H]3[C@H]4CC[C@@H]3NC4)CC2)O1
InChIInChI=1S/C14H20N2O4.ClH/c17-12(11-9-1-2-10(11)15-7-9)16-5-3-14(4-6-16)8-19-13(18)20-14;/h9-11,15H,1-8H2;1H/t9-,10-,11+;/m0./s1
InChIKeyFAVHKZUCRBJVBB-PBDVDRNWSA-N
MW316.79 g/mol
LogP0.93
Rot. Bonds1

About 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride

8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 154922759) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
PubChem CID154922759
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride
SMILESCl.O=C1OCC2(CCN(C(=O)[C@@H]3[C@H]4CC[C@@H]3NC4)CC2)O1
InChIInChI=1S/C14H20N2O4.ClH/c17-12(11-9-1-2-10(11)15-7-9)16-5-3-14(4-6-16)8-19-13(18)20-14;/h9-11,15H,1-8H2;1H/t9-,10-,11+;/m0./s1
InChIKeyFAVHKZUCRBJVBB-PBDVDRNWSA-N
XLogP0.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride (CID 154922759) is 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride is Cl.O=C1OCC2(CCN(C(=O)[C@@H]3[C@H]4CC[C@@H]3NC4)CC2)O1.
What is the InChIKey of 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is FAVHKZUCRBJVBB-PBDVDRNWSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c17-12(11-9-1-2-10(11)15-7-9)16-5-3-14(4-6-16)8-19-13(18)20-14;/h9-11,15H,1-8H2;1H/t9-,10-,11+;/m0./s1.
What are the key properties of 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride?
8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 154922759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).