(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide

C11H16N2 — CID 155473056

IUPAC(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide
SMILESC=CCC(/C(N)=N/C=C)=C(\C)C=C
InChIInChI=1S/C11H16N2/c1-5-8-10(9(4)6-2)11(12)13-7-3/h5-7H,1-3,8H2,4H3,(H2,12,13)/b10-9-
InChIKeyIDAGGZVBZBMPRB-KTKRTIGZSA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds5

About (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide

(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide (PubChem CID 155473056) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide
PubChem CID155473056
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide
SMILESC=CCC(/C(N)=N/C=C)=C(\C)C=C
InChIInChI=1S/C11H16N2/c1-5-8-10(9(4)6-2)11(12)13-7-3/h5-7H,1-3,8H2,4H3,(H2,12,13)/b10-9-
InChIKeyIDAGGZVBZBMPRB-KTKRTIGZSA-N
XLogP2.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide (CID 155473056) is (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide is C=CCC(/C(N)=N/C=C)=C(\C)C=C.
What is the InChIKey of (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide?
The InChIKey is IDAGGZVBZBMPRB-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-8-10(9(4)6-2)11(12)13-7-3/h5-7H,1-3,8H2,4H3,(H2,12,13)/b10-9-.
What are the key properties of (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide?
(2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-ethenyl-3-methyl-2-prop-2-enylpenta-2,4-dienimidamide is sourced from PubChem (CID 155473056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).