N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

C12H20N2O2 — CID 71795978

IUPACN-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CCCC1)N1C2CCC1COC2
InChIInChI=1S/C12H20N2O2/c15-12(13-9-3-1-2-4-9)14-10-5-6-11(14)8-16-7-10/h9-11H,1-8H2,(H,13,15)
InChIKeyKRCLUKDBHXWXQK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.50
Rot. Bonds1

About N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide

N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 71795978) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID71795978
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NC1CCCC1)N1C2CCC1COC2
InChIInChI=1S/C12H20N2O2/c15-12(13-9-3-1-2-4-9)14-10-5-6-11(14)8-16-7-10/h9-11H,1-8H2,(H,13,15)
InChIKeyKRCLUKDBHXWXQK-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 71795978) is N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NC1CCCC1)N1C2CCC1COC2.
What is the InChIKey of N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is KRCLUKDBHXWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(13-9-3-1-2-4-9)14-10-5-6-11(14)8-16-7-10/h9-11H,1-8H2,(H,13,15).
What are the key properties of N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 71795978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).