(3Z)-2-methylidenehexa-3,5-dienimidamide

C7H10N2 — CID 152860401

IUPAC(3Z)-2-methylidenehexa-3,5-dienimidamide
SMILES[H]/N=C(\N)C(=C)/C=C\C=C
InChIInChI=1S/C7H10N2/c1-3-4-5-6(2)7(8)9/h3-5H,1-2H2,(H3,8,9)/b5-4-
InChIKeyTXKMDSJQHJSYOX-PLNGDYQASA-N
MW122.17 g/mol
LogP1.22
Rot. Bonds3

About (3Z)-2-methylidenehexa-3,5-dienimidamide

(3Z)-2-methylidenehexa-3,5-dienimidamide (PubChem CID 152860401) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (3Z)-2-methylidenehexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z)-2-methylidenehexa-3,5-dienimidamide
PubChem CID152860401
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(3Z)-2-methylidenehexa-3,5-dienimidamide
SMILES[H]/N=C(\N)C(=C)/C=C\C=C
InChIInChI=1S/C7H10N2/c1-3-4-5-6(2)7(8)9/h3-5H,1-2H2,(H3,8,9)/b5-4-
InChIKeyTXKMDSJQHJSYOX-PLNGDYQASA-N
XLogP1.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.22
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 (3Z)-2-methylidenehexa-3,5-dienimidamide?
The IUPAC name of (3Z)-2-methylidenehexa-3,5-dienimidamide (CID 152860401) is (3Z)-2-methylidenehexa-3,5-dienimidamide.
What is the SMILES notation for (3Z)-2-methylidenehexa-3,5-dienimidamide?
The canonical SMILES for (3Z)-2-methylidenehexa-3,5-dienimidamide is [H]/N=C(\N)C(=C)/C=C\C=C.
What is the InChIKey of (3Z)-2-methylidenehexa-3,5-dienimidamide?
The InChIKey is TXKMDSJQHJSYOX-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-5-6(2)7(8)9/h3-5H,1-2H2,(H3,8,9)/b5-4-.
What are the key properties of (3Z)-2-methylidenehexa-3,5-dienimidamide?
(3Z)-2-methylidenehexa-3,5-dienimidamide has a molecular weight of 122.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylidenehexa-3,5-dienimidamide is sourced from PubChem (CID 152860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).