(Z)-2-isocyano-4,4-dimethylpent-2-ene

C8H13N — CID 88856835

IUPAC(Z)-2-isocyano-4,4-dimethylpent-2-ene
SMILES[C-]#[N+]/C(C)=C\C(C)(C)C
InChIInChI=1S/C8H13N/c1-7(9-5)6-8(2,3)4/h6H,1-4H3/b7-6-
InChIKeyGKLYLHUYYXNXGU-SREVYHEPSA-N
MW123.20 g/mol
LogP2.86
Rot. Bonds

About (Z)-2-isocyano-4,4-dimethylpent-2-ene

(Z)-2-isocyano-4,4-dimethylpent-2-ene (PubChem CID 88856835) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (Z)-2-isocyano-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(Z)-2-isocyano-4,4-dimethylpent-2-ene
PubChem CID88856835
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(Z)-2-isocyano-4,4-dimethylpent-2-ene
SMILES[C-]#[N+]/C(C)=C\C(C)(C)C
InChIInChI=1S/C8H13N/c1-7(9-5)6-8(2,3)4/h6H,1-4H3/b7-6-
InChIKeyGKLYLHUYYXNXGU-SREVYHEPSA-N
XLogP2.86
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (Z)-2-isocyano-4,4-dimethylpent-2-ene?
The IUPAC name of (Z)-2-isocyano-4,4-dimethylpent-2-ene (CID 88856835) is (Z)-2-isocyano-4,4-dimethylpent-2-ene.
What is the SMILES notation for (Z)-2-isocyano-4,4-dimethylpent-2-ene?
The canonical SMILES for (Z)-2-isocyano-4,4-dimethylpent-2-ene is [C-]#[N+]/C(C)=C\C(C)(C)C.
What is the InChIKey of (Z)-2-isocyano-4,4-dimethylpent-2-ene?
The InChIKey is GKLYLHUYYXNXGU-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13N/c1-7(9-5)6-8(2,3)4/h6H,1-4H3/b7-6-.
What are the key properties of (Z)-2-isocyano-4,4-dimethylpent-2-ene?
(Z)-2-isocyano-4,4-dimethylpent-2-ene has a molecular weight of 123.20 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-isocyano-4,4-dimethylpent-2-ene is sourced from PubChem (CID 88856835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).