(2E)-2-(isocyanomethylidene)piperidine

C7H10N2 — CID 58084411

IUPAC(2E)-2-(isocyanomethylidene)piperidine
SMILES[C-]#[N+]/C=C1\CCCCN1
InChIInChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h6,9H,2-5H2/b7-6+
InChIKeyRPWOYVZCDUADOT-VOTSOKGWSA-N
MW122.17 g/mol
LogP1.52
Rot. Bonds

About (2E)-2-(isocyanomethylidene)piperidine

(2E)-2-(isocyanomethylidene)piperidine (PubChem CID 58084411) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (2E)-2-(isocyanomethylidene)piperidine.

Molecular Properties

Compound Name(2E)-2-(isocyanomethylidene)piperidine
PubChem CID58084411
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(2E)-2-(isocyanomethylidene)piperidine
SMILES[C-]#[N+]/C=C1\CCCCN1
InChIInChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h6,9H,2-5H2/b7-6+
InChIKeyRPWOYVZCDUADOT-VOTSOKGWSA-N
XLogP1.52
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(isocyanomethylidene)piperidine?
The IUPAC name of (2E)-2-(isocyanomethylidene)piperidine (CID 58084411) is (2E)-2-(isocyanomethylidene)piperidine.
What is the SMILES notation for (2E)-2-(isocyanomethylidene)piperidine?
The canonical SMILES for (2E)-2-(isocyanomethylidene)piperidine is [C-]#[N+]/C=C1\CCCCN1.
What is the InChIKey of (2E)-2-(isocyanomethylidene)piperidine?
The InChIKey is RPWOYVZCDUADOT-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h6,9H,2-5H2/b7-6+.
What are the key properties of (2E)-2-(isocyanomethylidene)piperidine?
(2E)-2-(isocyanomethylidene)piperidine has a molecular weight of 122.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(isocyanomethylidene)piperidine is sourced from PubChem (CID 58084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).