ethane;1-methylimidazole;1-methylpyrrole

C17H37N3 — CID 91364037

IUPACethane;1-methylimidazole;1-methylpyrrole
SMILESCC.CC.CC.CC.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C5H7N.C4H6N2.4C2H6/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;4*1-2/h2-5H,1H3;2-4H,1H3;4*1-2H3
InChIKeyLCDKIIWXGJMQIQ-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.55
Rot. Bonds

About ethane;1-methylimidazole;1-methylpyrrole

ethane;1-methylimidazole;1-methylpyrrole (PubChem CID 91364037) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is ethane;1-methylimidazole;1-methylpyrrole.

Molecular Properties

Compound Nameethane;1-methylimidazole;1-methylpyrrole
PubChem CID91364037
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Nameethane;1-methylimidazole;1-methylpyrrole
SMILESCC.CC.CC.CC.Cn1cccc1.Cn1ccnc1
InChIInChI=1S/C5H7N.C4H6N2.4C2H6/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;4*1-2/h2-5H,1H3;2-4H,1H3;4*1-2H3
InChIKeyLCDKIIWXGJMQIQ-UHFFFAOYSA-N
XLogP5.55
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;1-methylpyrrole?
The IUPAC name of ethane;1-methylimidazole;1-methylpyrrole (CID 91364037) is ethane;1-methylimidazole;1-methylpyrrole.
What is the SMILES notation for ethane;1-methylimidazole;1-methylpyrrole?
The canonical SMILES for ethane;1-methylimidazole;1-methylpyrrole is CC.CC.CC.CC.Cn1cccc1.Cn1ccnc1.
What is the InChIKey of ethane;1-methylimidazole;1-methylpyrrole?
The InChIKey is LCDKIIWXGJMQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6N2.4C2H6/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;4*1-2/h2-5H,1H3;2-4H,1H3;4*1-2H3.
What are the key properties of ethane;1-methylimidazole;1-methylpyrrole?
ethane;1-methylimidazole;1-methylpyrrole has a molecular weight of 283.50 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole;1-methylpyrrole is sourced from PubChem (CID 91364037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).