5-isocyano-4-(isocyanomethyl)pent-1-ene

C8H10N2 — CID 87106686

IUPAC5-isocyano-4-(isocyanomethyl)pent-1-ene
SMILES[C-]#[N+]CC(CC=C)C[N+]#[C-]
InChIInChI=1S/C8H10N2/c1-4-5-8(6-9-2)7-10-3/h4,8H,1,5-7H2
InChIKeyIBHNTMYGFJCXIX-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.02
Rot. Bonds4

About 5-isocyano-4-(isocyanomethyl)pent-1-ene

5-isocyano-4-(isocyanomethyl)pent-1-ene (PubChem CID 87106686) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-isocyano-4-(isocyanomethyl)pent-1-ene.

Molecular Properties

Compound Name5-isocyano-4-(isocyanomethyl)pent-1-ene
PubChem CID87106686
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-isocyano-4-(isocyanomethyl)pent-1-ene
SMILES[C-]#[N+]CC(CC=C)C[N+]#[C-]
InChIInChI=1S/C8H10N2/c1-4-5-8(6-9-2)7-10-3/h4,8H,1,5-7H2
InChIKeyIBHNTMYGFJCXIX-UHFFFAOYSA-N
XLogP2.02
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-4-(isocyanomethyl)pent-1-ene?
The IUPAC name of 5-isocyano-4-(isocyanomethyl)pent-1-ene (CID 87106686) is 5-isocyano-4-(isocyanomethyl)pent-1-ene.
What is the SMILES notation for 5-isocyano-4-(isocyanomethyl)pent-1-ene?
The canonical SMILES for 5-isocyano-4-(isocyanomethyl)pent-1-ene is [C-]#[N+]CC(CC=C)C[N+]#[C-].
What is the InChIKey of 5-isocyano-4-(isocyanomethyl)pent-1-ene?
The InChIKey is IBHNTMYGFJCXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-8(6-9-2)7-10-3/h4,8H,1,5-7H2.
What are the key properties of 5-isocyano-4-(isocyanomethyl)pent-1-ene?
5-isocyano-4-(isocyanomethyl)pent-1-ene has a molecular weight of 134.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-4-(isocyanomethyl)pent-1-ene is sourced from PubChem (CID 87106686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).