ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine

C11H18N2 — CID 144683553

IUPACethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine
SMILESC=Cc1cc(C)[nH]c1/C=N/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-8-5-7(2)11-9(8)6-10-3;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b10-6+;
InChIKeySOAUTODFJBBASQ-AAGWESIMSA-N
MW178.28 g/mol
LogP3.04
Rot. Bonds2

About ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine

ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine (PubChem CID 144683553) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine.

Molecular Properties

Compound Nameethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine
PubChem CID144683553
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine
SMILESC=Cc1cc(C)[nH]c1/C=N/C.CC
InChIInChI=1S/C9H12N2.C2H6/c1-4-8-5-7(2)11-9(8)6-10-3;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b10-6+;
InChIKeySOAUTODFJBBASQ-AAGWESIMSA-N
XLogP3.04
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine?
The IUPAC name of ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine (CID 144683553) is ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine.
What is the SMILES notation for ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine?
The canonical SMILES for ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine is C=Cc1cc(C)[nH]c1/C=N/C.CC.
What is the InChIKey of ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine?
The InChIKey is SOAUTODFJBBASQ-AAGWESIMSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-4-8-5-7(2)11-9(8)6-10-3;1-2/h4-6,11H,1H2,2-3H3;1-2H3/b10-6+;.
What are the key properties of ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine?
ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine has a molecular weight of 178.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine is sourced from PubChem (CID 144683553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).