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

C9H14N2 — CID 130335699

IUPAC1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1
InChIInChI=1S/C9H14N2/c1-4-8-6-11(3)7-9(8)5-10-2/h4-5H,1,6-7H2,2-3H3/b10-5+
InChIKeyXRKTVJWAEWYOEO-BJMVGYQFSA-N
MW150.22 g/mol
LogP1.12
Rot. Bonds2

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

1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (PubChem CID 130335699) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
PubChem CID130335699
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CN(C)C1
InChIInChI=1S/C9H14N2/c1-4-8-6-11(3)7-9(8)5-10-2/h4-5H,1,6-7H2,2-3H3/b10-5+
InChIKeyXRKTVJWAEWYOEO-BJMVGYQFSA-N
XLogP1.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.12
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 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The IUPAC name of 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine (CID 130335699) is 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The canonical SMILES for 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CN(C)C1.
What is the InChIKey of 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
The InChIKey is XRKTVJWAEWYOEO-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-6-11(3)7-9(8)5-10-2/h4-5H,1,6-7H2,2-3H3/b10-5+.
What are the key properties of 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine?
1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine has a molecular weight of 150.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 130335699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).