(E)-6-isocyanohex-2-ene

C7H11N — CID 23393436

IUPAC(E)-6-isocyanohex-2-ene
SMILES[C-]#[N+]CCC/C=C/C
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-4H,5-7H2,1H3/b4-3+
InChIKeyQEHHNMUQZXGBOE-ONEGZZNKSA-N
MW109.17 g/mol
LogP2.26
Rot. Bonds3

About (E)-6-isocyanohex-2-ene

(E)-6-isocyanohex-2-ene (PubChem CID 23393436) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (E)-6-isocyanohex-2-ene.

Molecular Properties

Compound Name(E)-6-isocyanohex-2-ene
PubChem CID23393436
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(E)-6-isocyanohex-2-ene
SMILES[C-]#[N+]CCC/C=C/C
InChIInChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-4H,5-7H2,1H3/b4-3+
InChIKeyQEHHNMUQZXGBOE-ONEGZZNKSA-N
XLogP2.26
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Isocyanopent-1-ene
CID 85573628
(E)-5-isocyanopent-2-ene
CID 92033374
(2Z,4E)-8-isocyanoocta-2,4-diene
CID 57615049
(2E,4E)-8-isocyanoocta-2,4-diene
CID 57615050
5-Isocyanopent-2-ene
CID 71386811
6-Isocyano-2-methylhex-2-ene
CID 123394140
5-Isocyano-3-methylpent-2-ene
CID 141411180
methylidyne-[(E)-3-methylpent-3-enyl]azanium
CID 146920292
N-[(Z)-hex-4-enyl]methanimine
CID 154516605
methylidyne-[(Z)-pent-3-enyl]azanium
CID 163711859
(Z)-1-isocyanodec-4-ene
CID 168741021
(3E)-7-isocyanohepta-1,3-diene
CID 11579121

Frequently Asked Questions

What is the IUPAC name of (E)-6-isocyanohex-2-ene?
The IUPAC name of (E)-6-isocyanohex-2-ene (CID 23393436) is (E)-6-isocyanohex-2-ene.
What is the SMILES notation for (E)-6-isocyanohex-2-ene?
The canonical SMILES for (E)-6-isocyanohex-2-ene is [C-]#[N+]CCC/C=C/C.
What is the InChIKey of (E)-6-isocyanohex-2-ene?
The InChIKey is QEHHNMUQZXGBOE-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-5-6-7-8-2/h3-4H,5-7H2,1H3/b4-3+.
What are the key properties of (E)-6-isocyanohex-2-ene?
(E)-6-isocyanohex-2-ene has a molecular weight of 109.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-isocyanohex-2-ene is sourced from PubChem (CID 23393436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).