2-isocyano-5-methylidenepiperidine

C7H10N2 — CID 91149241

IUPAC2-isocyano-5-methylidenepiperidine
SMILES[C-]#[N+]C1CCC(=C)CN1
InChIInChI=1S/C7H10N2/c1-6-3-4-7(8-2)9-5-6/h7,9H,1,3-5H2
InChIKeyWOELDFZOTBKFST-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.17
Rot. Bonds

About 2-isocyano-5-methylidenepiperidine

2-isocyano-5-methylidenepiperidine (PubChem CID 91149241) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-isocyano-5-methylidenepiperidine.

Molecular Properties

Compound Name2-isocyano-5-methylidenepiperidine
PubChem CID91149241
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-isocyano-5-methylidenepiperidine
SMILES[C-]#[N+]C1CCC(=C)CN1
InChIInChI=1S/C7H10N2/c1-6-3-4-7(8-2)9-5-6/h7,9H,1,3-5H2
InChIKeyWOELDFZOTBKFST-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methylene-piperidine
CID 10796703
3,4-Dimethylidenepiperidine
CID 21412354
3-Methylidenepiperidine hydrochloride
CID 50988050
3,5-Dimethylidenepiperidine
CID 57187742
N-methyl-4-methylidenepiperidin-2-amine
CID 59241992
1-Methanidyl-3-methylidenepiperidin-1-ium
CID 59347527
6-Methyl-5-methylidenepiperidin-2-amine
CID 90778224
N-methyl-5-methylidenepiperidin-2-amine
CID 90816630
5-methylidene-N-(2-methylpropyl)piperidin-2-amine
CID 90838657
4-Methyl-5-methylidenepiperidin-2-amine
CID 90984603
3-Isocyano-5-methylidenepiperidine
CID 91011946
5-methylidene-N-propan-2-ylpiperidin-2-amine
CID 91222372

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-5-methylidenepiperidine?
The IUPAC name of 2-isocyano-5-methylidenepiperidine (CID 91149241) is 2-isocyano-5-methylidenepiperidine.
What is the SMILES notation for 2-isocyano-5-methylidenepiperidine?
The canonical SMILES for 2-isocyano-5-methylidenepiperidine is [C-]#[N+]C1CCC(=C)CN1.
What is the InChIKey of 2-isocyano-5-methylidenepiperidine?
The InChIKey is WOELDFZOTBKFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-7(8-2)9-5-6/h7,9H,1,3-5H2.
What are the key properties of 2-isocyano-5-methylidenepiperidine?
2-isocyano-5-methylidenepiperidine has a molecular weight of 122.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-5-methylidenepiperidine is sourced from PubChem (CID 91149241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).