N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide

C8H14N2O2 — CID 130614903

IUPACN-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCONC(=O)N1CC2CCC1C2
InChIInChI=1S/C8H14N2O2/c1-12-9-8(11)10-5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyKUICCDZNBJCJQC-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.74
Rot. Bonds1

About N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 130614903) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID130614903
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCONC(=O)N1CC2CCC1C2
InChIInChI=1S/C8H14N2O2/c1-12-9-8(11)10-5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H,9,11)
InChIKeyKUICCDZNBJCJQC-UHFFFAOYSA-N
XLogP0.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,4S)-N-(4-bromo-3-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98345787
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methoxybutan-1-one
CID 62476618
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 116654809
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
CID 136578618
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115412194

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 130614903) is N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide is CONC(=O)N1CC2CCC1C2.
What is the InChIKey of N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KUICCDZNBJCJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-12-9-8(11)10-5-6-2-3-7(10)4-6/h6-7H,2-5H2,1H3,(H,9,11).
What are the key properties of N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 130614903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).