3-ethyl-1H-pyrrole;molecular hydrogen

C6H11N — CID 142378632

IUPAC3-ethyl-1H-pyrrole;molecular hydrogen
SMILESCCc1cc[nH]c1.[H][H]
InChIInChI=1S/C6H9N.H2/c1-2-6-3-4-7-5-6;/h3-5,7H,2H2,1H3;1H
InChIKeyRSFIUIYWFQIVCS-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.82
Rot. Bonds1

About 3-ethyl-1H-pyrrole;molecular hydrogen

3-ethyl-1H-pyrrole;molecular hydrogen (PubChem CID 142378632) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-ethyl-1H-pyrrole;molecular hydrogen.

Molecular Properties

Compound Name3-ethyl-1H-pyrrole;molecular hydrogen
PubChem CID142378632
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-ethyl-1H-pyrrole;molecular hydrogen
SMILESCCc1cc[nH]c1.[H][H]
InChIInChI=1S/C6H9N.H2/c1-2-6-3-4-7-5-6;/h3-5,7H,2H2,1H3;1H
InChIKeyRSFIUIYWFQIVCS-UHFFFAOYSA-N
XLogP1.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-pyrrole;molecular hydrogen?
The IUPAC name of 3-ethyl-1H-pyrrole;molecular hydrogen (CID 142378632) is 3-ethyl-1H-pyrrole;molecular hydrogen.
What is the SMILES notation for 3-ethyl-1H-pyrrole;molecular hydrogen?
The canonical SMILES for 3-ethyl-1H-pyrrole;molecular hydrogen is CCc1cc[nH]c1.[H][H].
What is the InChIKey of 3-ethyl-1H-pyrrole;molecular hydrogen?
The InChIKey is RSFIUIYWFQIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.H2/c1-2-6-3-4-7-5-6;/h3-5,7H,2H2,1H3;1H.
What are the key properties of 3-ethyl-1H-pyrrole;molecular hydrogen?
3-ethyl-1H-pyrrole;molecular hydrogen has a molecular weight of 97.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyrrole;molecular hydrogen is sourced from PubChem (CID 142378632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).