2-methoxy-5-methylidenepiperidine-3-carbonitrile

C8H12N2O — CID 91171504

IUPAC2-methoxy-5-methylidenepiperidine-3-carbonitrile
SMILESC=C1CNC(OC)C(C#N)C1
InChIInChI=1S/C8H12N2O/c1-6-3-7(4-9)8(11-2)10-5-6/h7-8,10H,1,3,5H2,2H3
InChIKeyPGHGBEMOPLCJNC-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds1

About 2-methoxy-5-methylidenepiperidine-3-carbonitrile

2-methoxy-5-methylidenepiperidine-3-carbonitrile (PubChem CID 91171504) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methoxy-5-methylidenepiperidine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-methylidenepiperidine-3-carbonitrile
PubChem CID91171504
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methoxy-5-methylidenepiperidine-3-carbonitrile
SMILESC=C1CNC(OC)C(C#N)C1
InChIInChI=1S/C8H12N2O/c1-6-3-7(4-9)8(11-2)10-5-6/h7-8,10H,1,3,5H2,2H3
InChIKeyPGHGBEMOPLCJNC-UHFFFAOYSA-N
XLogP0.65
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-3-methyl-5-methylidenepiperidine
CID 91145347

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylidenepiperidine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-methylidenepiperidine-3-carbonitrile (CID 91171504) is 2-methoxy-5-methylidenepiperidine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-methylidenepiperidine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-methylidenepiperidine-3-carbonitrile is C=C1CNC(OC)C(C#N)C1.
What is the InChIKey of 2-methoxy-5-methylidenepiperidine-3-carbonitrile?
The InChIKey is PGHGBEMOPLCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-3-7(4-9)8(11-2)10-5-6/h7-8,10H,1,3,5H2,2H3.
What are the key properties of 2-methoxy-5-methylidenepiperidine-3-carbonitrile?
2-methoxy-5-methylidenepiperidine-3-carbonitrile has a molecular weight of 152.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylidenepiperidine-3-carbonitrile is sourced from PubChem (CID 91171504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).