acetyl chloride;1H-pyrrole

C6H8ClNO — CID 88545502

IUPACacetyl chloride;1H-pyrrole
SMILESCC(=O)Cl.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H3ClO/c1-2-4-5-3-1;1-2(3)4/h1-5H;1H3
InChIKeyMEHFQFLXICWRRC-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.79
Rot. Bonds

About acetyl chloride;1H-pyrrole

acetyl chloride;1H-pyrrole (PubChem CID 88545502) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is acetyl chloride;1H-pyrrole.

Molecular Properties

Compound Nameacetyl chloride;1H-pyrrole
PubChem CID88545502
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Nameacetyl chloride;1H-pyrrole
SMILESCC(=O)Cl.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H3ClO/c1-2-4-5-3-1;1-2(3)4/h1-5H;1H3
InChIKeyMEHFQFLXICWRRC-UHFFFAOYSA-N
XLogP1.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 acetyl chloride;1H-pyrrole?
The IUPAC name of acetyl chloride;1H-pyrrole (CID 88545502) is acetyl chloride;1H-pyrrole.
What is the SMILES notation for acetyl chloride;1H-pyrrole?
The canonical SMILES for acetyl chloride;1H-pyrrole is CC(=O)Cl.c1cc[nH]c1.
What is the InChIKey of acetyl chloride;1H-pyrrole?
The InChIKey is MEHFQFLXICWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2H3ClO/c1-2-4-5-3-1;1-2(3)4/h1-5H;1H3.
What are the key properties of acetyl chloride;1H-pyrrole?
acetyl chloride;1H-pyrrole has a molecular weight of 145.59 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;1H-pyrrole is sourced from PubChem (CID 88545502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).