(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide

C9H13N3O — CID 18960962

IUPAC(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
SMILESCO/N=C(\C#N)C1=CCCN(C)C1
InChIInChI=1S/C9H13N3O/c1-12-5-3-4-8(7-12)9(6-10)11-13-2/h4H,3,5,7H2,1-2H3/b11-9+
InChIKeyCBOPDFIRBQHXIG-PKNBQFBNSA-N
MW179.22 g/mol
LogP0.77
Rot. Bonds2

About (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide

(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide (PubChem CID 18960962) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide.

Molecular Properties

Compound Name(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
PubChem CID18960962
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide
SMILESCO/N=C(\C#N)C1=CCCN(C)C1
InChIInChI=1S/C9H13N3O/c1-12-5-3-4-8(7-12)9(6-10)11-13-2/h4H,3,5,7H2,1-2H3/b11-9+
InChIKeyCBOPDFIRBQHXIG-PKNBQFBNSA-N
XLogP0.77
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide?
The IUPAC name of (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide (CID 18960962) is (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide.
What is the SMILES notation for (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide?
The canonical SMILES for (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide is CO/N=C(\C#N)C1=CCCN(C)C1.
What is the InChIKey of (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide?
The InChIKey is CBOPDFIRBQHXIG-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-5-3-4-8(7-12)9(6-10)11-13-2/h4H,3,5,7H2,1-2H3/b11-9+.
What are the key properties of (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide?
(5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide has a molecular weight of 179.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-methoxy-1-methyl-3,6-dihydro-2H-pyridine-5-carboximidoyl cyanide is sourced from PubChem (CID 18960962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).