(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

C8H12N2 — CID 118642057

IUPAC(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(/C=C\C)=C/C=C
InChIInChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h3-6H,1H2,2H3,(H3,9,10)/b6-4-,7-5+
InChIKeyTYWNTWLYFZLMQQ-XGXWUAJZSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds3

About (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 118642057) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
PubChem CID118642057
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(/C=C\C)=C/C=C
InChIInChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h3-6H,1H2,2H3,(H3,9,10)/b6-4-,7-5+
InChIKeyTYWNTWLYFZLMQQ-XGXWUAJZSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (CID 118642057) is (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is [H]/N=C(N)/C(/C=C\C)=C/C=C.
What is the InChIKey of (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is TYWNTWLYFZLMQQ-XGXWUAJZSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-7(6-4-2)8(9)10/h3-6H,1H2,2H3,(H3,9,10)/b6-4-,7-5+.
What are the key properties of (2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
(2E)-2-[(Z)-prop-1-enyl]penta-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-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 118642057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).