[(Z)-1-isocyanopent-1-enyl]benzene

C12H13N — CID 59010940

IUPAC[(Z)-1-isocyanopent-1-enyl]benzene
SMILES[C-]#[N+]/C(=C\CCC)c1ccccc1
InChIInChI=1S/C12H13N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1H3/b12-10-
InChIKeyYZWXDSKOHGKZFP-BENRWUELSA-N
MW171.24 g/mol
LogP3.75
Rot. Bonds3

About [(Z)-1-isocyanopent-1-enyl]benzene

[(Z)-1-isocyanopent-1-enyl]benzene (PubChem CID 59010940) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is [(Z)-1-isocyanopent-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-isocyanopent-1-enyl]benzene
PubChem CID59010940
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name[(Z)-1-isocyanopent-1-enyl]benzene
SMILES[C-]#[N+]/C(=C\CCC)c1ccccc1
InChIInChI=1S/C12H13N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1H3/b12-10-
InChIKeyYZWXDSKOHGKZFP-BENRWUELSA-N
XLogP3.75
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.75
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)-1-isocyanopent-1-enyl]benzene?
The IUPAC name of [(Z)-1-isocyanopent-1-enyl]benzene (CID 59010940) is [(Z)-1-isocyanopent-1-enyl]benzene.
What is the SMILES notation for [(Z)-1-isocyanopent-1-enyl]benzene?
The canonical SMILES for [(Z)-1-isocyanopent-1-enyl]benzene is [C-]#[N+]/C(=C\CCC)c1ccccc1.
What is the InChIKey of [(Z)-1-isocyanopent-1-enyl]benzene?
The InChIKey is YZWXDSKOHGKZFP-BENRWUELSA-N. The full InChI is InChI=1S/C12H13N/c1-3-4-10-12(13-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1H3/b12-10-.
What are the key properties of [(Z)-1-isocyanopent-1-enyl]benzene?
[(Z)-1-isocyanopent-1-enyl]benzene has a molecular weight of 171.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-isocyanopent-1-enyl]benzene is sourced from PubChem (CID 59010940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).