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

C11H18N2O — CID 70311970

IUPACN-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC=C(COC)/N=C/C1=C(C)CNC1
InChIInChI=1S/C11H18N2O/c1-4-11(8-14-3)13-7-10-6-12-5-9(10)2/h4,7,12H,5-6,8H2,1-3H3/b11-4?,13-7+
InChIKeyFCJZKBFDGSUZJF-FDYPENFWSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds4

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

N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (PubChem CID 70311970) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
PubChem CID70311970
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC=C(COC)/N=C/C1=C(C)CNC1
InChIInChI=1S/C11H18N2O/c1-4-11(8-14-3)13-7-10-6-12-5-9(10)2/h4,7,12H,5-6,8H2,1-3H3/b11-4?,13-7+
InChIKeyFCJZKBFDGSUZJF-FDYPENFWSA-N
XLogP1.53
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (CID 70311970) is N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is CC=C(COC)/N=C/C1=C(C)CNC1.
What is the InChIKey of N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The InChIKey is FCJZKBFDGSUZJF-FDYPENFWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(8-14-3)13-7-10-6-12-5-9(10)2/h4,7,12H,5-6,8H2,1-3H3/b11-4?,13-7+.
What are the key properties of N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine has a molecular weight of 194.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 70311970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).