4-cyanopentanoyl chloride

C6H8ClNO — CID 22607005

IUPAC4-cyanopentanoyl chloride
SMILESCC(C#N)CCC(=O)Cl
InChIInChI=1S/C6H8ClNO/c1-5(4-8)2-3-6(7)9/h5H,2-3H2,1H3
InChIKeySEAPWVKYZKVDCR-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.69
Rot. Bonds3

About 4-cyanopentanoyl chloride

4-cyanopentanoyl chloride (PubChem CID 22607005) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-cyanopentanoyl chloride.

Molecular Properties

Compound Name4-cyanopentanoyl chloride
PubChem CID22607005
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name4-cyanopentanoyl chloride
SMILESCC(C#N)CCC(=O)Cl
InChIInChI=1S/C6H8ClNO/c1-5(4-8)2-3-6(7)9/h5H,2-3H2,1H3
InChIKeySEAPWVKYZKVDCR-UHFFFAOYSA-N
XLogP1.69
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyanopentanoyl chloride?
The IUPAC name of 4-cyanopentanoyl chloride (CID 22607005) is 4-cyanopentanoyl chloride.
What is the SMILES notation for 4-cyanopentanoyl chloride?
The canonical SMILES for 4-cyanopentanoyl chloride is CC(C#N)CCC(=O)Cl.
What is the InChIKey of 4-cyanopentanoyl chloride?
The InChIKey is SEAPWVKYZKVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-5(4-8)2-3-6(7)9/h5H,2-3H2,1H3.
What are the key properties of 4-cyanopentanoyl chloride?
4-cyanopentanoyl chloride has a molecular weight of 145.59 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanopentanoyl chloride is sourced from PubChem (CID 22607005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).