N-cycloheptyl-N-methylcarbamoyl chloride

C9H16ClNO — CID 21404031

IUPACN-cycloheptyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCCC1
InChIInChI=1S/C9H16ClNO/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyRDBDHIHTIQSBNL-UHFFFAOYSA-N
MW189.69 g/mol
LogP3.00
Rot. Bonds1

About N-cycloheptyl-N-methylcarbamoyl chloride

N-cycloheptyl-N-methylcarbamoyl chloride (PubChem CID 21404031) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-cycloheptyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-cycloheptyl-N-methylcarbamoyl chloride
PubChem CID21404031
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-cycloheptyl-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCCCCC1
InChIInChI=1S/C9H16ClNO/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyRDBDHIHTIQSBNL-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methylcarbamoyl chloride?
The IUPAC name of N-cycloheptyl-N-methylcarbamoyl chloride (CID 21404031) is N-cycloheptyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-cycloheptyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-cycloheptyl-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methylcarbamoyl chloride?
The InChIKey is RDBDHIHTIQSBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-11(9(10)12)8-6-4-2-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-N-methylcarbamoyl chloride?
N-cycloheptyl-N-methylcarbamoyl chloride has a molecular weight of 189.69 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 21404031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).