acetyl chloride;bicyclo[2.2.1]heptane

C9H15ClO — CID 157265989

IUPACacetyl chloride;bicyclo[2.2.1]heptane
SMILESC1CC2CCC1C2.CC(=O)Cl
InChIInChI=1S/C7H12.C2H3ClO/c1-2-7-4-3-6(1)5-7;1-2(3)4/h6-7H,1-5H2;1H3
InChIKeyAXZRJVMXKZAPCQ-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.97
Rot. Bonds

About acetyl chloride;bicyclo[2.2.1]heptane

acetyl chloride;bicyclo[2.2.1]heptane (PubChem CID 157265989) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is acetyl chloride;bicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameacetyl chloride;bicyclo[2.2.1]heptane
PubChem CID157265989
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Nameacetyl chloride;bicyclo[2.2.1]heptane
SMILESC1CC2CCC1C2.CC(=O)Cl
InChIInChI=1S/C7H12.C2H3ClO/c1-2-7-4-3-6(1)5-7;1-2(3)4/h6-7H,1-5H2;1H3
InChIKeyAXZRJVMXKZAPCQ-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.97
H-Bond Donors ≤ 50
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;bicyclo[2.2.1]heptane?
The IUPAC name of acetyl chloride;bicyclo[2.2.1]heptane (CID 157265989) is acetyl chloride;bicyclo[2.2.1]heptane.
What is the SMILES notation for acetyl chloride;bicyclo[2.2.1]heptane?
The canonical SMILES for acetyl chloride;bicyclo[2.2.1]heptane is C1CC2CCC1C2.CC(=O)Cl.
What is the InChIKey of acetyl chloride;bicyclo[2.2.1]heptane?
The InChIKey is AXZRJVMXKZAPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H3ClO/c1-2-7-4-3-6(1)5-7;1-2(3)4/h6-7H,1-5H2;1H3.
What are the key properties of acetyl chloride;bicyclo[2.2.1]heptane?
acetyl chloride;bicyclo[2.2.1]heptane has a molecular weight of 174.67 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;bicyclo[2.2.1]heptane is sourced from PubChem (CID 157265989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).