ethane;4-methyl-2H-pyrrole

C7H13N — CID 91332736

IUPACethane;4-methyl-2H-pyrrole
SMILESCC.CC1=CCN=C1
InChIInChI=1S/C5H7N.C2H6/c1-5-2-3-6-4-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyJYKKAHYSPFDKLO-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds

About ethane;4-methyl-2H-pyrrole

ethane;4-methyl-2H-pyrrole (PubChem CID 91332736) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is ethane;4-methyl-2H-pyrrole.

Molecular Properties

Compound Nameethane;4-methyl-2H-pyrrole
PubChem CID91332736
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Nameethane;4-methyl-2H-pyrrole
SMILESCC.CC1=CCN=C1
InChIInChI=1S/C5H7N.C2H6/c1-5-2-3-6-4-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyJYKKAHYSPFDKLO-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2H-pyrrole?
The IUPAC name of ethane;4-methyl-2H-pyrrole (CID 91332736) is ethane;4-methyl-2H-pyrrole.
What is the SMILES notation for ethane;4-methyl-2H-pyrrole?
The canonical SMILES for ethane;4-methyl-2H-pyrrole is CC.CC1=CCN=C1.
What is the InChIKey of ethane;4-methyl-2H-pyrrole?
The InChIKey is JYKKAHYSPFDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C2H6/c1-5-2-3-6-4-5;1-2/h2,4H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2H-pyrrole?
ethane;4-methyl-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2H-pyrrole is sourced from PubChem (CID 91332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).