(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide

C10H15N3O — CID 123198252

IUPAC(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide
SMILESCON=C(C#N)[C@]12CCCN(CC1)C2
InChIInChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/t10-/m1/s1
InChIKeyWJIDIDMJHVMZSA-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.00
Rot. Bonds2

About (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide

(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide (PubChem CID 123198252) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide.

Molecular Properties

Compound Name(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide
PubChem CID123198252
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide
SMILESCON=C(C#N)[C@]12CCCN(CC1)C2
InChIInChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/t10-/m1/s1
InChIKeyWJIDIDMJHVMZSA-SNVBAGLBSA-N
XLogP1.00
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
CID 10726128
1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
CID 54262319
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
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
methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
CID 70091384
N-methoxy-1-azabicyclo[2.2.1]heptane-3-carboximidoyl cyanide;oxalic acid
CID 173253753
N-[4-(pyridin-4-ylmethoxy)phenyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167958227

Frequently Asked Questions

What is the IUPAC name of (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide?
The IUPAC name of (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide (CID 123198252) is (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide.
What is the SMILES notation for (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide?
The canonical SMILES for (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide is CON=C(C#N)[C@]12CCCN(CC1)C2.
What is the InChIKey of (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide?
The InChIKey is WJIDIDMJHVMZSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-14-12-9(7-11)10-3-2-5-13(8-10)6-4-10/h2-6,8H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide?
(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide has a molecular weight of 193.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide is sourced from PubChem (CID 123198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).