ethane;3,4,5-trimethyl-2H-pyrrole

C9H17N — CID 143924244

IUPACethane;3,4,5-trimethyl-2H-pyrrole
SMILESCC.CC1=NCC(C)=C1C
InChIInChI=1S/C7H11N.C2H6/c1-5-4-8-7(3)6(5)2;1-2/h4H2,1-3H3;1-2H3
InChIKeyFJPMWLHGCRFTSP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds

About ethane;3,4,5-trimethyl-2H-pyrrole

ethane;3,4,5-trimethyl-2H-pyrrole (PubChem CID 143924244) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;3,4,5-trimethyl-2H-pyrrole.

Molecular Properties

Compound Nameethane;3,4,5-trimethyl-2H-pyrrole
PubChem CID143924244
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;3,4,5-trimethyl-2H-pyrrole
SMILESCC.CC1=NCC(C)=C1C
InChIInChI=1S/C7H11N.C2H6/c1-5-4-8-7(3)6(5)2;1-2/h4H2,1-3H3;1-2H3
InChIKeyFJPMWLHGCRFTSP-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5-trimethyl-2H-pyrrole?
The IUPAC name of ethane;3,4,5-trimethyl-2H-pyrrole (CID 143924244) is ethane;3,4,5-trimethyl-2H-pyrrole.
What is the SMILES notation for ethane;3,4,5-trimethyl-2H-pyrrole?
The canonical SMILES for ethane;3,4,5-trimethyl-2H-pyrrole is CC.CC1=NCC(C)=C1C.
What is the InChIKey of ethane;3,4,5-trimethyl-2H-pyrrole?
The InChIKey is FJPMWLHGCRFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-5-4-8-7(3)6(5)2;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;3,4,5-trimethyl-2H-pyrrole?
ethane;3,4,5-trimethyl-2H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5-trimethyl-2H-pyrrole is sourced from PubChem (CID 143924244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).