cyano 2-methylidenepiperidine-1-carboxylate

C8H10N2O2 — CID 174215900

IUPACcyano 2-methylidenepiperidine-1-carboxylate
SMILESC=C1CCCCN1C(=O)OC#N
InChIInChI=1S/C8H10N2O2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h1-5H2
InChIKeyYPZIAMZRPAMKBY-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.60
Rot. Bonds

About cyano 2-methylidenepiperidine-1-carboxylate

cyano 2-methylidenepiperidine-1-carboxylate (PubChem CID 174215900) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is cyano 2-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Namecyano 2-methylidenepiperidine-1-carboxylate
PubChem CID174215900
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namecyano 2-methylidenepiperidine-1-carboxylate
SMILESC=C1CCCCN1C(=O)OC#N
InChIInChI=1S/C8H10N2O2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h1-5H2
InChIKeyYPZIAMZRPAMKBY-UHFFFAOYSA-N
XLogP1.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyano 2-methylidenepiperidine-1-carboxylate?
The IUPAC name of cyano 2-methylidenepiperidine-1-carboxylate (CID 174215900) is cyano 2-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for cyano 2-methylidenepiperidine-1-carboxylate?
The canonical SMILES for cyano 2-methylidenepiperidine-1-carboxylate is C=C1CCCCN1C(=O)OC#N.
What is the InChIKey of cyano 2-methylidenepiperidine-1-carboxylate?
The InChIKey is YPZIAMZRPAMKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-7-4-2-3-5-10(7)8(11)12-6-9/h1-5H2.
What are the key properties of cyano 2-methylidenepiperidine-1-carboxylate?
cyano 2-methylidenepiperidine-1-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyano 2-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 174215900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).