cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate

C14H21NO2 — CID 55449216

IUPACcyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate
SMILESCc1ccc(C(=O)OCC2CCCCC2)n1C
InChIInChI=1S/C14H21NO2/c1-11-8-9-13(15(11)2)14(16)17-10-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyUZDPOMNVZPNZFZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.07
Rot. Bonds3

About cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate

cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate (PubChem CID 55449216) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate
PubChem CID55449216
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate
SMILESCc1ccc(C(=O)OCC2CCCCC2)n1C
InChIInChI=1S/C14H21NO2/c1-11-8-9-13(15(11)2)14(16)17-10-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3
InChIKeyUZDPOMNVZPNZFZ-UHFFFAOYSA-N
XLogP3.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate (CID 55449216) is cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate is Cc1ccc(C(=O)OCC2CCCCC2)n1C.
What is the InChIKey of cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate?
The InChIKey is UZDPOMNVZPNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-8-9-13(15(11)2)14(16)17-10-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3.
What are the key properties of cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate?
cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 55449216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).