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

C8H12N2 — CID 166546504

IUPACN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=C/N=C/C1=C(C)CCN1
InChIInChI=1S/C8H12N2/c1-3-9-6-8-7(2)4-5-10-8/h3,6,10H,1,4-5H2,2H3/b9-6+
InChIKeyWSVLQLKKRCMLSX-RMKNXTFCSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds2

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

N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (PubChem CID 166546504) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.

Molecular Properties

Compound NameN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
PubChem CID166546504
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
SMILESC=C/N=C/C1=C(C)CCN1
InChIInChI=1S/C8H12N2/c1-3-9-6-8-7(2)4-5-10-8/h3,6,10H,1,4-5H2,2H3/b9-6+
InChIKeyWSVLQLKKRCMLSX-RMKNXTFCSA-N
XLogP1.47
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 ≤ 51.47
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

4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
CID 19826811
(1-Ethenyl-5-methanimidoyl-2,3-dihydropyrrol-4-yl)methanimine
CID 57315202
5-(Ethenyliminomethyl)-1-methyl-2,3-dihydropyrrol-4-amine
CID 89472760
1,2,3,4-Tetrahydropyrrolo[2,3-c]azepine
CID 140375966
ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
CID 142955167
N-methyl-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)methanimine
CID 164175297
N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane
CID 166546503
(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine
CID 166837774
1-(3-tert-butyl-1,4-dihydropyrazin-2-yl)-N-methylmethanimine
CID 169815091
(2E,4Z)-4-ethenyl-2-ethyl-N-[(E)-1-methyliminobut-2-en-2-yl]hexa-2,4-dien-1-amine
CID 153633444

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The IUPAC name of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine (CID 166546504) is N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine.
What is the SMILES notation for N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The canonical SMILES for N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is C=C/N=C/C1=C(C)CCN1.
What is the InChIKey of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
The InChIKey is WSVLQLKKRCMLSX-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-6-8-7(2)4-5-10-8/h3,6,10H,1,4-5H2,2H3/b9-6+.
What are the key properties of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine?
N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine is sourced from PubChem (CID 166546504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).