cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C14H17NO3 — CID 50923962

IUPACcyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc2occc2[nH]1
InChIInChI=1S/C14H17NO3/c16-14(18-9-10-4-2-1-3-5-10)12-8-13-11(15-12)6-7-17-13/h6-8,10,15H,1-5,9H2
InChIKeyZDMFJUDVTCHXAL-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.50
Rot. Bonds3

About cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50923962) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50923962
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namecyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCC1CCCCC1)c1cc2occc2[nH]1
InChIInChI=1S/C14H17NO3/c16-14(18-9-10-4-2-1-3-5-10)12-8-13-11(15-12)6-7-17-13/h6-8,10,15H,1-5,9H2
InChIKeyZDMFJUDVTCHXAL-UHFFFAOYSA-N
XLogP3.50
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50923962) is cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(OCC1CCCCC1)c1cc2occc2[nH]1.
What is the InChIKey of cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZDMFJUDVTCHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(18-9-10-4-2-1-3-5-10)12-8-13-11(15-12)6-7-17-13/h6-8,10,15H,1-5,9H2.
What are the key properties of cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50923962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).