(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide

C10H14N2 — CID 142943943

IUPAC(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide
SMILESC=C/C=C(C(=C)C=C)/C(N)=N/C
InChIInChI=1S/C10H14N2/c1-5-7-9(8(3)6-2)10(11)12-4/h5-7H,1-3H2,4H3,(H2,11,12)/b9-7+
InChIKeyOYCJDKDRCMJHFE-VQHVLOKHSA-N
MW162.24 g/mol
LogP1.83
Rot. Bonds4

About (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide

(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide (PubChem CID 142943943) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide
PubChem CID142943943
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide
SMILESC=C/C=C(C(=C)C=C)/C(N)=N/C
InChIInChI=1S/C10H14N2/c1-5-7-9(8(3)6-2)10(11)12-4/h5-7H,1-3H2,4H3,(H2,11,12)/b9-7+
InChIKeyOYCJDKDRCMJHFE-VQHVLOKHSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.83
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 (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide (CID 142943943) is (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide is C=C/C=C(C(=C)C=C)/C(N)=N/C.
What is the InChIKey of (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide?
The InChIKey is OYCJDKDRCMJHFE-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-7-9(8(3)6-2)10(11)12-4/h5-7H,1-3H2,4H3,(H2,11,12)/b9-7+.
What are the key properties of (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide?
(2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide has a molecular weight of 162.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-buta-1,3-dien-2-yl-N'-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 142943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).