ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C17H29NO2 — CID 134199839

IUPACethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C2CCCCCCCCC2)=N1
InChIInChI=1S/C17H29NO2/c1-2-20-17(19)16-13-12-15(18-16)14-10-8-6-4-3-5-7-9-11-14/h14,16H,2-13H2,1H3/t16-/m1/s1
InChIKeySNEXXODUBFLHBR-MRXNPFEDSA-N
MW279.42 g/mol
LogP4.29
Rot. Bonds3

About ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate

ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 134199839) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID134199839
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nameethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(C2CCCCCCCCC2)=N1
InChIInChI=1S/C17H29NO2/c1-2-20-17(19)16-13-12-15(18-16)14-10-8-6-4-3-5-7-9-11-14/h14,16H,2-13H2,1H3/t16-/m1/s1
InChIKeySNEXXODUBFLHBR-MRXNPFEDSA-N
XLogP4.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 134199839) is ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate is CCOC(=O)[C@H]1CCC(C2CCCCCCCCC2)=N1.
What is the InChIKey of ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is SNEXXODUBFLHBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-20-17(19)16-13-12-15(18-16)14-10-8-6-4-3-5-7-9-11-14/h14,16H,2-13H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 279.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-cyclodecyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 134199839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).