ethane;2H-pyrrole

C6H11N — CID 91196078

IUPACethane;2H-pyrrole
SMILESC1=CCN=C1.CC
InChIInChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1-3H,4H2;1-2H3
InChIKeyUYPNRJOSEVWDQQ-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds

About ethane;2H-pyrrole

ethane;2H-pyrrole (PubChem CID 91196078) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is ethane;2H-pyrrole.

Molecular Properties

Compound Nameethane;2H-pyrrole
PubChem CID91196078
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Nameethane;2H-pyrrole
SMILESC1=CCN=C1.CC
InChIInChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1-3H,4H2;1-2H3
InChIKeyUYPNRJOSEVWDQQ-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2H-pyrrole?
The IUPAC name of ethane;2H-pyrrole (CID 91196078) is ethane;2H-pyrrole.
What is the SMILES notation for ethane;2H-pyrrole?
The canonical SMILES for ethane;2H-pyrrole is C1=CCN=C1.CC.
What is the InChIKey of ethane;2H-pyrrole?
The InChIKey is UYPNRJOSEVWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1-3H,4H2;1-2H3.
What are the key properties of ethane;2H-pyrrole?
ethane;2H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2H-pyrrole is sourced from PubChem (CID 91196078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).