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

C12H22N2 — CID 166546503

IUPACN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane
SMILESC=C/N=C/C1=C(C)CCN1.CC(C)C
InChIInChI=1S/C8H12N2.C4H10/c1-3-9-6-8-7(2)4-5-10-8;1-4(2)3/h3,6,10H,1,4-5H2,2H3;4H,1-3H3/b9-6+;
InChIKeyGCYLQHVEKXHWAT-MLBSPLJJSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds2

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

N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane (PubChem CID 166546503) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane.

Molecular Properties

Compound NameN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane
PubChem CID166546503
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane
SMILESC=C/N=C/C1=C(C)CCN1.CC(C)C
InChIInChI=1S/C8H12N2.C4H10/c1-3-9-6-8-7(2)4-5-10-8;1-4(2)3/h3,6,10H,1,4-5H2,2H3;4H,1-3H3/b9-6+;
InChIKeyGCYLQHVEKXHWAT-MLBSPLJJSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
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 N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane?
The IUPAC name of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane (CID 166546503) is N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane.
What is the SMILES notation for N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane?
The canonical SMILES for N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane is C=C/N=C/C1=C(C)CCN1.CC(C)C.
What is the InChIKey of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane?
The InChIKey is GCYLQHVEKXHWAT-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H12N2.C4H10/c1-3-9-6-8-7(2)4-5-10-8;1-4(2)3/h3,6,10H,1,4-5H2,2H3;4H,1-3H3/b9-6+;.
What are the key properties of N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane?
N-ethenyl-1-(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine;2-methylpropane has a molecular weight of 194.32 g/mol, XLogP of 3.13, 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;2-methylpropane is sourced from PubChem (CID 166546503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).