N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine

C10H16N2 — CID 166818446

IUPACN-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine
SMILESC/C=C1/C(C)=CNC1/C=N/CC
InChIInChI=1S/C10H16N2/c1-4-9-8(3)6-12-10(9)7-11-5-2/h4,6-7,10,12H,5H2,1-3H3/b9-4-,11-7+
InChIKeyWCKTZCHEYAYZCX-OTNJUGNRSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds2

About N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine

N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine (PubChem CID 166818446) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine
PubChem CID166818446
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine
SMILESC/C=C1/C(C)=CNC1/C=N/CC
InChIInChI=1S/C10H16N2/c1-4-9-8(3)6-12-10(9)7-11-5-2/h4,6-7,10,12H,5H2,1-3H3/b9-4-,11-7+
InChIKeyWCKTZCHEYAYZCX-OTNJUGNRSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
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-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine?
The IUPAC name of N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine (CID 166818446) is N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine.
What is the SMILES notation for N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine?
The canonical SMILES for N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine is C/C=C1/C(C)=CNC1/C=N/CC.
What is the InChIKey of N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine?
The InChIKey is WCKTZCHEYAYZCX-OTNJUGNRSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-8(3)6-12-10(9)7-11-5-2/h4,6-7,10,12H,5H2,1-3H3/b9-4-,11-7+.
What are the key properties of N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine?
N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine is sourced from PubChem (CID 166818446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).