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

C8H12N2 — CID 143834146

IUPAC1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CNC1
InChIInChI=1S/C8H12N2/c1-3-7-5-10-6-8(7)4-9-2/h3-4,10H,1,5-6H2,2H3/b9-4+
InChIKeyCHHXRRVXEMOCBQ-RUDMXATFSA-N
MW136.20 g/mol
LogP0.77
Rot. Bonds2

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

1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine (PubChem CID 143834146) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
PubChem CID143834146
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
SMILESC=CC1=C(/C=N/C)CNC1
InChIInChI=1S/C8H12N2/c1-3-7-5-10-6-8(7)4-9-2/h3-4,10H,1,5-6H2,2H3/b9-4+
InChIKeyCHHXRRVXEMOCBQ-RUDMXATFSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 89046829
[4-[(Z)-2-iodoethenyl]-1-methyl-2,5-dihydropyrrol-3-yl]methanimine
CID 117744791
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 130335699
(E)-2-ethenyl-4-imino-N-methylbut-2-en-1-amine
CID 142057480
(2Z)-N-methyl-2-(methyliminomethyl)penta-2,4-dien-1-amine
CID 142096295
1-(2H-azepin-6-yl)-N-methylmethanamine
CID 142207033
ethane;1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 144168394
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 145001459
1-(4-ethenyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 155073878
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 155590146
N-[(Z)-2-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)ethenyl]methanimine
CID 170452531

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The IUPAC name of 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine (CID 143834146) is 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The canonical SMILES for 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine is C=CC1=C(/C=N/C)CNC1.
What is the InChIKey of 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
The InChIKey is CHHXRRVXEMOCBQ-RUDMXATFSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-5-10-6-8(7)4-9-2/h3-4,10H,1,5-6H2,2H3/b9-4+.
What are the key properties of 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine?
1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine has a molecular weight of 136.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine is sourced from PubChem (CID 143834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).