1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine

C8H14N2 — CID 168952170

IUPAC1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
SMILESCCC1=C(/C=N/C)CNC1
InChIInChI=1S/C8H14N2/c1-3-7-5-10-6-8(7)4-9-2/h4,10H,3,5-6H2,1-2H3/b9-4+
InChIKeyKRIBAZAYISSLEA-RUDMXATFSA-N
MW138.21 g/mol
LogP1.00
Rot. Bonds2

About 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine

1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine (PubChem CID 168952170) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
PubChem CID168952170
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
SMILESCCC1=C(/C=N/C)CNC1
InChIInChI=1S/C8H14N2/c1-3-7-5-10-6-8(7)4-9-2/h4,10H,3,5-6H2,1-2H3/b9-4+
InChIKeyKRIBAZAYISSLEA-RUDMXATFSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
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-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The IUPAC name of 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine (CID 168952170) is 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The canonical SMILES for 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine is CCC1=C(/C=N/C)CNC1.
What is the InChIKey of 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The InChIKey is KRIBAZAYISSLEA-RUDMXATFSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7-5-10-6-8(7)4-9-2/h4,10H,3,5-6H2,1-2H3/b9-4+.
What are the key properties of 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine has a molecular weight of 138.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 168952170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).