N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide

C12H20ClNO2 — CID 106366913

IUPACN-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCCCC1CCl)C1CCOC1
InChIInChI=1S/C12H20ClNO2/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15)
InChIKeyQQJNFGFJCFRQTH-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.94
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide

N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 106366913) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID106366913
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCCCC1CCl)C1CCOC1
InChIInChI=1S/C12H20ClNO2/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15)
InChIKeyQQJNFGFJCFRQTH-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide (CID 106366913) is N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide is O=C(NC1CCCCC1CCl)C1CCOC1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is QQJNFGFJCFRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide?
N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 106366913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).