N-cycloheptyl-N-ethylcarbamoyl chloride

C10H18ClNO — CID 19030391

IUPACN-cycloheptyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-12(10(11)13)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3
InChIKeyZXLKYRWOWFFNFE-UHFFFAOYSA-N
MW203.71 g/mol
LogP3.39
Rot. Bonds2

About N-cycloheptyl-N-ethylcarbamoyl chloride

N-cycloheptyl-N-ethylcarbamoyl chloride (PubChem CID 19030391) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-cycloheptyl-N-ethylcarbamoyl chloride.

Molecular Properties

Compound NameN-cycloheptyl-N-ethylcarbamoyl chloride
PubChem CID19030391
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-cycloheptyl-N-ethylcarbamoyl chloride
SMILESCCN(C(=O)Cl)C1CCCCCC1
InChIInChI=1S/C10H18ClNO/c1-2-12(10(11)13)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3
InChIKeyZXLKYRWOWFFNFE-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.39
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-ethylcarbamoyl chloride?
The IUPAC name of N-cycloheptyl-N-ethylcarbamoyl chloride (CID 19030391) is N-cycloheptyl-N-ethylcarbamoyl chloride.
What is the SMILES notation for N-cycloheptyl-N-ethylcarbamoyl chloride?
The canonical SMILES for N-cycloheptyl-N-ethylcarbamoyl chloride is CCN(C(=O)Cl)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-ethylcarbamoyl chloride?
The InChIKey is ZXLKYRWOWFFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-12(10(11)13)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3.
What are the key properties of N-cycloheptyl-N-ethylcarbamoyl chloride?
N-cycloheptyl-N-ethylcarbamoyl chloride has a molecular weight of 203.71 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-ethylcarbamoyl chloride is sourced from PubChem (CID 19030391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).