(Z)-1-isocyanodec-4-ene

C11H19N — CID 168741021

IUPAC(Z)-1-isocyanodec-4-ene
SMILES[C-]#[N+]CCC/C=C\CCCCC
InChIInChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h7-8H,3-6,9-11H2,1H3/b8-7-
InChIKeyCLLJLOOBHRHTDQ-FPLPWBNLSA-N
MW165.28 g/mol
LogP3.82
Rot. Bonds7

About (Z)-1-isocyanodec-4-ene

(Z)-1-isocyanodec-4-ene (PubChem CID 168741021) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-1-isocyanodec-4-ene.

Molecular Properties

Compound Name(Z)-1-isocyanodec-4-ene
PubChem CID168741021
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-1-isocyanodec-4-ene
SMILES[C-]#[N+]CCC/C=C\CCCCC
InChIInChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h7-8H,3-6,9-11H2,1H3/b8-7-
InChIKeyCLLJLOOBHRHTDQ-FPLPWBNLSA-N
XLogP3.82
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.82
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

Oleyl isocyanide
CID 135049609
N,N-dimethyldec-4-en-1-amine
CID 170848018
(E)-6-isocyanohex-2-ene
CID 23393436
Trimethyl(oct-2-enyl)azanium
CID 57001337
(2Z,4E)-8-isocyanoocta-2,4-diene
CID 57615049
(2E,4E)-8-isocyanoocta-2,4-diene
CID 57615050
(6Z,9Z)-18-isocyanooctadeca-6,9-diene
CID 58559549
18-Isocyanooctadeca-6,9-diene
CID 76830243
1-Isocyanooctadec-9-ene
CID 86193330
N-deca-1,8-dien-5-ylacetonitrilium
CID 91338826
N-hept-6-enylacetonitrilium
CID 91460258
(E)-N,N-dimethylundec-4-en-1-amine
CID 92038930

Frequently Asked Questions

What is the IUPAC name of (Z)-1-isocyanodec-4-ene?
The IUPAC name of (Z)-1-isocyanodec-4-ene (CID 168741021) is (Z)-1-isocyanodec-4-ene.
What is the SMILES notation for (Z)-1-isocyanodec-4-ene?
The canonical SMILES for (Z)-1-isocyanodec-4-ene is [C-]#[N+]CCC/C=C\CCCCC.
What is the InChIKey of (Z)-1-isocyanodec-4-ene?
The InChIKey is CLLJLOOBHRHTDQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h7-8H,3-6,9-11H2,1H3/b8-7-.
What are the key properties of (Z)-1-isocyanodec-4-ene?
(Z)-1-isocyanodec-4-ene has a molecular weight of 165.28 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-isocyanodec-4-ene is sourced from PubChem (CID 168741021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).