N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide

C8H14N2O2 — CID 10583285

IUPACN-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESCONC(=O)C12CCN(CC1)C2
InChIInChI=1S/C8H14N2O2/c1-12-9-7(11)8-2-4-10(6-8)5-3-8/h2-6H2,1H3,(H,9,11)
InChIKeyDREPEXJDUSCRST-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.24
Rot. Bonds2

About N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide

N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide (PubChem CID 10583285) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
PubChem CID10583285
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESCONC(=O)C12CCN(CC1)C2
InChIInChI=1S/C8H14N2O2/c1-12-9-7(11)8-2-4-10(6-8)5-3-8/h2-6H2,1H3,(H,9,11)
InChIKeyDREPEXJDUSCRST-UHFFFAOYSA-N
XLogP-0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-azabicyclo[2.2.1]heptan-4-yl)ethanone
CID 10678310
1-azabicyclo[2.2.1]heptane-4-carboxylic acid
CID 21202810
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616
(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
CID 10726128
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
methyl N-(1-azabicyclo[2.2.2]octan-4-yl)carbamate
CID 130007998
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317
methyl 4-amino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441158
1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
CID 70091384

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The IUPAC name of N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide (CID 10583285) is N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide.
What is the SMILES notation for N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The canonical SMILES for N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide is CONC(=O)C12CCN(CC1)C2.
What is the InChIKey of N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The InChIKey is DREPEXJDUSCRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-12-9-7(11)8-2-4-10(6-8)5-3-8/h2-6H2,1H3,(H,9,11).
What are the key properties of N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide?
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide is sourced from PubChem (CID 10583285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).