(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine

C11H16N2 — CID 137255174

IUPAC(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine
SMILESC=C(/C=C1/C=CN/C1=N\C)C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)9(3)7-10-5-6-13-11(10)12-4/h5-8H,3H2,1-2,4H3,(H,12,13)/b10-7-
InChIKeyNUNYKXCHTMTONN-YFHOEESVSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds2

About (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine

(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine (PubChem CID 137255174) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine
PubChem CID137255174
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine
SMILESC=C(/C=C1/C=CN/C1=N\C)C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)9(3)7-10-5-6-13-11(10)12-4/h5-8H,3H2,1-2,4H3,(H,12,13)/b10-7-
InChIKeyNUNYKXCHTMTONN-YFHOEESVSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
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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Related Compounds

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(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
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(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine?
The IUPAC name of (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine (CID 137255174) is (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine.
What is the SMILES notation for (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine?
The canonical SMILES for (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine is C=C(/C=C1/C=CN/C1=N\C)C(C)C.
What is the InChIKey of (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine?
The InChIKey is NUNYKXCHTMTONN-YFHOEESVSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)9(3)7-10-5-6-13-11(10)12-4/h5-8H,3H2,1-2,4H3,(H,12,13)/b10-7-.
What are the key properties of (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine?
(3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-(3-methyl-2-methylidenebutylidene)-1H-pyrrol-2-imine is sourced from PubChem (CID 137255174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).