ethane;3-methyl-2-methylidene-1H-imidazole

C7H14N2 — CID 90706621

IUPACethane;3-methyl-2-methylidene-1H-imidazole
SMILESC=C1NC=CN1C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5-6-3-4-7(5)2;1-2/h3-4,6H,1H2,2H3;1-2H3
InChIKeyCPIVCXDIRHGICW-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.49
Rot. Bonds

About ethane;3-methyl-2-methylidene-1H-imidazole

ethane;3-methyl-2-methylidene-1H-imidazole (PubChem CID 90706621) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;3-methyl-2-methylidene-1H-imidazole.

Molecular Properties

Compound Nameethane;3-methyl-2-methylidene-1H-imidazole
PubChem CID90706621
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;3-methyl-2-methylidene-1H-imidazole
SMILESC=C1NC=CN1C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-5-6-3-4-7(5)2;1-2/h3-4,6H,1H2,2H3;1-2H3
InChIKeyCPIVCXDIRHGICW-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-methylidene-1H-imidazole?
The IUPAC name of ethane;3-methyl-2-methylidene-1H-imidazole (CID 90706621) is ethane;3-methyl-2-methylidene-1H-imidazole.
What is the SMILES notation for ethane;3-methyl-2-methylidene-1H-imidazole?
The canonical SMILES for ethane;3-methyl-2-methylidene-1H-imidazole is C=C1NC=CN1C.CC.
What is the InChIKey of ethane;3-methyl-2-methylidene-1H-imidazole?
The InChIKey is CPIVCXDIRHGICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5-6-3-4-7(5)2;1-2/h3-4,6H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-methyl-2-methylidene-1H-imidazole?
ethane;3-methyl-2-methylidene-1H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-methylidene-1H-imidazole is sourced from PubChem (CID 90706621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).