ethane;3H-pyrrole

C6H11N — CID 91374213

IUPACethane;3H-pyrrole
SMILESC1=CN=CC1.CC
InChIInChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1,3-4H,2H2;1-2H3
InChIKeyQNSFFTRKTWWCAD-UHFFFAOYSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds

About ethane;3H-pyrrole

ethane;3H-pyrrole (PubChem CID 91374213) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is ethane;3H-pyrrole.

Molecular Properties

Compound Nameethane;3H-pyrrole
PubChem CID91374213
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Nameethane;3H-pyrrole
SMILESC1=CN=CC1.CC
InChIInChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1,3-4H,2H2;1-2H3
InChIKeyQNSFFTRKTWWCAD-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3H-pyrrole?
The IUPAC name of ethane;3H-pyrrole (CID 91374213) is ethane;3H-pyrrole.
What is the SMILES notation for ethane;3H-pyrrole?
The canonical SMILES for ethane;3H-pyrrole is C1=CN=CC1.CC.
What is the InChIKey of ethane;3H-pyrrole?
The InChIKey is QNSFFTRKTWWCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2H6/c1-2-4-5-3-1;1-2/h1,3-4H,2H2;1-2H3.
What are the key properties of ethane;3H-pyrrole?
ethane;3H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-pyrrole is sourced from PubChem (CID 91374213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).