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

C9H16N2O2 — CID 15663618

IUPACN-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESCON(C)C(=O)C12CCN(CC1)C2
InChIInChI=1S/C9H16N2O2/c1-10(13-2)8(12)9-3-5-11(7-9)6-4-9/h3-7H2,1-2H3
InChIKeyKGCBGVXKSIJIEB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.10
Rot. Bonds2

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

N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide (PubChem CID 15663618) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
PubChem CID15663618
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
SMILESCON(C)C(=O)C12CCN(CC1)C2
InChIInChI=1S/C9H16N2O2/c1-10(13-2)8(12)9-3-5-11(7-9)6-4-9/h3-7H2,1-2H3
InChIKeyKGCBGVXKSIJIEB-UHFFFAOYSA-N
XLogP0.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616
N-methoxy-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 130361058
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
1-(1-azabicyclo[2.2.1]heptan-4-yl)ethanone
CID 10678310
1-azabicyclo[2.2.1]heptane-4-carboxylic acid
CID 21202810
tert-butyl 4-[methoxy(methyl)carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 169066755
1-amino-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 65464735
N-methoxy-N,1-dimethylcycloprop-2-ene-1-carboxamide
CID 89246188
N-methoxy-N-methyl-1-methylsulfanylcyclopropane-1-carboxamide
CID 131206795
N-methoxy-N,3-dimethylazetidine-3-carboxamide
CID 130808649
1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 137408252
(2S)-2-tert-butyl-2-[methoxy(methyl)carbamoyl]azetidine-1-carboxylic acid
CID 87333790

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide (CID 15663618) is N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide is CON(C)C(=O)C12CCN(CC1)C2.
What is the InChIKey of N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide?
The InChIKey is KGCBGVXKSIJIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10(13-2)8(12)9-3-5-11(7-9)6-4-9/h3-7H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide?
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide is sourced from PubChem (CID 15663618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).