N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide

C11H16N2 — CID 139305364

IUPACN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
SMILESC=CC(=C)/N=C(\C)NC(=C)/C=C\C
InChIInChI=1S/C11H16N2/c1-6-8-10(4)13-11(5)12-9(3)7-2/h6-8H,2-4H2,1,5H3,(H,12,13)/b8-6-
InChIKeyVVGGKVWUGDBLLG-VURMDHGXSA-N
MW176.26 g/mol
LogP2.78
Rot. Bonds4

About N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide

N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide (PubChem CID 139305364) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
PubChem CID139305364
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
SMILESC=CC(=C)/N=C(\C)NC(=C)/C=C\C
InChIInChI=1S/C11H16N2/c1-6-8-10(4)13-11(5)12-9(3)7-2/h6-8H,2-4H2,1,5H3,(H,12,13)/b8-6-
InChIKeyVVGGKVWUGDBLLG-VURMDHGXSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.78
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'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide (CID 139305364) is N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide is C=CC(=C)/N=C(\C)NC(=C)/C=C\C.
What is the InChIKey of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is VVGGKVWUGDBLLG-VURMDHGXSA-N. The full InChI is InChI=1S/C11H16N2/c1-6-8-10(4)13-11(5)12-9(3)7-2/h6-8H,2-4H2,1,5H3,(H,12,13)/b8-6-.
What are the key properties of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 139305364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).