ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine

C11H20N2 — CID 155590146

IUPACethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b10-5+;
InChIKeyMEJPEZAOPXJTNB-OAZHBLANSA-N
MW180.29 g/mol
LogP2.14
Rot. Bonds2

About ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine

ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (PubChem CID 155590146) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Nameethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
PubChem CID155590146
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b10-5+;
InChIKeyMEJPEZAOPXJTNB-OAZHBLANSA-N
XLogP2.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The IUPAC name of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (CID 155590146) is ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.
What is the SMILES notation for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The canonical SMILES for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CN(C)C1.CC.
What is the InChIKey of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The InChIKey is MEJPEZAOPXJTNB-OAZHBLANSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-8-6-11(3)7-9(8)5-10-2;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3/b10-5+;.
What are the key properties of ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine has a molecular weight of 180.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 155590146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).