N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide

C10H15N3O2 — CID 89467841

IUPACN'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
SMILES[H]/N=C/C(=C\C=C/C)NC(=O)CC(=O)NC
InChIInChI=1S/C10H15N3O2/c1-3-4-5-8(7-11)13-10(15)6-9(14)12-2/h3-5,7,11H,6H2,1-2H3,(H,12,14)(H,13,15)/b4-3-,8-5+,11-7+
InChIKeyXBZUMRVQSMWGJE-JVFZCAIUSA-N
MW209.25 g/mol
LogP0.35
Rot. Bonds5

About N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide

N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide (PubChem CID 89467841) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide.

Molecular Properties

Compound NameN'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
PubChem CID89467841
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
SMILES[H]/N=C/C(=C\C=C/C)NC(=O)CC(=O)NC
InChIInChI=1S/C10H15N3O2/c1-3-4-5-8(7-11)13-10(15)6-9(14)12-2/h3-5,7,11H,6H2,1-2H3,(H,12,14)(H,13,15)/b4-3-,8-5+,11-7+
InChIKeyXBZUMRVQSMWGJE-JVFZCAIUSA-N
XLogP0.35
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
ethyl thiohypofluorite;(3E,5Z)-2-methanimidoylhepta-1,3,5-trien-3-amine
CID 145036953
2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
CID 154930180
1-iminohept-5-en-2-one
CID 123560377
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
3-ethenylhepta-3,5-diene-1,2-diimine
CID 123395606

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide?
The IUPAC name of N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide (CID 89467841) is N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide.
What is the SMILES notation for N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide?
The canonical SMILES for N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide is [H]/N=C/C(=C\C=C/C)NC(=O)CC(=O)NC.
What is the InChIKey of N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide?
The InChIKey is XBZUMRVQSMWGJE-JVFZCAIUSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-5-8(7-11)13-10(15)6-9(14)12-2/h3-5,7,11H,6H2,1-2H3,(H,12,14)(H,13,15)/b4-3-,8-5+,11-7+.
What are the key properties of N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide?
N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide has a molecular weight of 209.25 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide is sourced from PubChem (CID 89467841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).