(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide

C8H12N2 — CID 142082779

IUPAC(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(=C/C=C)C(=C)C
InChIInChI=1S/C8H12N2/c1-4-5-7(6(2)3)8(9)10/h4-5H,1-2H2,3H3,(H3,9,10)/b7-5+
InChIKeyONAKHQDGMXQENK-FNORWQNLSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds3

About (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide

(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide (PubChem CID 142082779) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide
PubChem CID142082779
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(=C/C=C)C(=C)C
InChIInChI=1S/C8H12N2/c1-4-5-7(6(2)3)8(9)10/h4-5H,1-2H2,3H3,(H3,9,10)/b7-5+
InChIKeyONAKHQDGMXQENK-FNORWQNLSA-N
XLogP1.61
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
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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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
Cyclopentadienylamidine
CID 59145620
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
(2Z,4Z)-2-ethyl-3-(trifluoromethyl)hepta-2,4,6-trienimidamide
CID 144091394
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
2-Methylidenepent-3-enimidamide
CID 57266179
(3E)-3-methylhexa-3,5-dienimidamide
CID 58082056
Benzenecarboximidamide;tungsten
CID 58182739
(Z)-4-methyl-2-propan-2-ylpent-2-enimidamide
CID 88783504

Frequently Asked Questions

What is the IUPAC name of (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide (CID 142082779) is (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide is [H]/N=C(N)/C(=C/C=C)C(=C)C.
What is the InChIKey of (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide?
The InChIKey is ONAKHQDGMXQENK-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-7(6(2)3)8(9)10/h4-5H,1-2H2,3H3,(H3,9,10)/b7-5+.
What are the key properties of (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide?
(2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-prop-1-en-2-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 142082779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).