carbonyl dichloride;cyclopentylmethanamine

C7H13Cl2NO — CID 175500513

IUPACcarbonyl dichloride;cyclopentylmethanamine
SMILESNCC1CCCC1.O=C(Cl)Cl
InChIInChI=1S/C6H13N.CCl2O/c7-5-6-3-1-2-4-6;2-1(3)4/h6H,1-5,7H2;
InChIKeyMRZOYXHIVYYRKG-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.72
Rot. Bonds1

About carbonyl dichloride;cyclopentylmethanamine

carbonyl dichloride;cyclopentylmethanamine (PubChem CID 175500513) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is carbonyl dichloride;cyclopentylmethanamine.

Molecular Properties

Compound Namecarbonyl dichloride;cyclopentylmethanamine
PubChem CID175500513
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Namecarbonyl dichloride;cyclopentylmethanamine
SMILESNCC1CCCC1.O=C(Cl)Cl
InChIInChI=1S/C6H13N.CCl2O/c7-5-6-3-1-2-4-6;2-1(3)4/h6H,1-5,7H2;
InChIKeyMRZOYXHIVYYRKG-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbonyl dichloride;cyclopentylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;cyclopentylmethanamine?
The IUPAC name of carbonyl dichloride;cyclopentylmethanamine (CID 175500513) is carbonyl dichloride;cyclopentylmethanamine.
What is the SMILES notation for carbonyl dichloride;cyclopentylmethanamine?
The canonical SMILES for carbonyl dichloride;cyclopentylmethanamine is NCC1CCCC1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;cyclopentylmethanamine?
The InChIKey is MRZOYXHIVYYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CCl2O/c7-5-6-3-1-2-4-6;2-1(3)4/h6H,1-5,7H2;.
What are the key properties of carbonyl dichloride;cyclopentylmethanamine?
carbonyl dichloride;cyclopentylmethanamine has a molecular weight of 198.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;cyclopentylmethanamine is sourced from PubChem (CID 175500513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).