(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide

C8H11N3O — CID 18960961

IUPAC(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide
SMILESCO/N=C(\C#N)C1=CCCNC1
InChIInChI=1S/C8H11N3O/c1-12-11-8(5-9)7-3-2-4-10-6-7/h3,10H,2,4,6H2,1H3/b11-8+
InChIKeyVMMDRBODBOIPTK-DHZHZOJOSA-N
MW165.20 g/mol
LogP0.43
Rot. Bonds2

About (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide

(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide (PubChem CID 18960961) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide.

Molecular Properties

Compound Name(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide
PubChem CID18960961
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide
SMILESCO/N=C(\C#N)C1=CCCNC1
InChIInChI=1S/C8H11N3O/c1-12-11-8(5-9)7-3-2-4-10-6-7/h3,10H,2,4,6H2,1H3/b11-8+
InChIKeyVMMDRBODBOIPTK-DHZHZOJOSA-N
XLogP0.43
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide?
The IUPAC name of (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide (CID 18960961) is (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide.
What is the SMILES notation for (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide?
The canonical SMILES for (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide is CO/N=C(\C#N)C1=CCCNC1.
What is the InChIKey of (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide?
The InChIKey is VMMDRBODBOIPTK-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-11-8(5-9)7-3-2-4-10-6-7/h3,10H,2,4,6H2,1H3/b11-8+.
What are the key properties of (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide?
(5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide has a molecular weight of 165.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-methoxy-1,2,3,6-tetrahydropyridine-5-carboximidoyl cyanide is sourced from PubChem (CID 18960961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).