(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine

C10H16N2 — CID 166762406

IUPAC(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=C(C)N/C1=N\CC
InChIInChI=1S/C10H16N2/c1-4-6-9-7-8(3)12-10(9)11-5-2/h6-7H,4-5H2,1-3H3,(H,11,12)/b9-6-
InChIKeyMIMVRZAVBPNHPI-TWGQIWQCSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds2

About (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine

(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine (PubChem CID 166762406) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine
PubChem CID166762406
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=C(C)N/C1=N\CC
InChIInChI=1S/C10H16N2/c1-4-6-9-7-8(3)12-10(9)11-5-2/h6-7H,4-5H2,1-3H3,(H,11,12)/b9-6-
InChIKeyMIMVRZAVBPNHPI-TWGQIWQCSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine?
The IUPAC name of (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine (CID 166762406) is (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine.
What is the SMILES notation for (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine?
The canonical SMILES for (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine is CC/C=C1/C=C(C)N/C1=N\CC.
What is the InChIKey of (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine?
The InChIKey is MIMVRZAVBPNHPI-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-9-7-8(3)12-10(9)11-5-2/h6-7H,4-5H2,1-3H3,(H,11,12)/b9-6-.
What are the key properties of (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine?
(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 166762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).