N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide

C9H14N2 — CID 145381830

IUPACN'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-9(7(2)3)6-11-8(4)10/h5-6H,1-2H2,3-4H3,(H2,10,11)/b9-6+
InChIKeySNQYQQLCJWWRHZ-RMKNXTFCSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds3

About N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide

N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide (PubChem CID 145381830) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide
PubChem CID145381830
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide
SMILESC=C/C(=C\N=C(/C)N)C(=C)C
InChIInChI=1S/C9H14N2/c1-5-9(7(2)3)6-11-8(4)10/h5-6H,1-2H2,3-4H3,(H2,10,11)/b9-6+
InChIKeySNQYQQLCJWWRHZ-RMKNXTFCSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide (CID 145381830) is N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide is C=C/C(=C\N=C(/C)N)C(=C)C.
What is the InChIKey of N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide?
The InChIKey is SNQYQQLCJWWRHZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9(7(2)3)6-11-8(4)10/h5-6H,1-2H2,3-4H3,(H2,10,11)/b9-6+.
What are the key properties of N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide?
N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide has a molecular weight of 150.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-ethenyl-3-methylbuta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 145381830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).