(3Z)-2-imino-6-methylhepta-3,5-dienamide

C8H12N2O — CID 126540319

IUPAC(3Z)-2-imino-6-methylhepta-3,5-dienamide
SMILES[H]/N=C(\C=C/C=C(C)C)C(N)=O
InChIInChI=1S/C8H12N2O/c1-6(2)4-3-5-7(9)8(10)11/h3-5,9H,1-2H3,(H2,10,11)/b5-3-,9-7+
InChIKeyLUAKYFALUSWJAB-AACIIYHXSA-N
MW152.20 g/mol
LogP1.01
Rot. Bonds3

About (3Z)-2-imino-6-methylhepta-3,5-dienamide

(3Z)-2-imino-6-methylhepta-3,5-dienamide (PubChem CID 126540319) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3Z)-2-imino-6-methylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-2-imino-6-methylhepta-3,5-dienamide
PubChem CID126540319
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3Z)-2-imino-6-methylhepta-3,5-dienamide
SMILES[H]/N=C(\C=C/C=C(C)C)C(N)=O
InChIInChI=1S/C8H12N2O/c1-6(2)4-3-5-7(9)8(10)11/h3-5,9H,1-2H3,(H2,10,11)/b5-3-,9-7+
InChIKeyLUAKYFALUSWJAB-AACIIYHXSA-N
XLogP1.01
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-imino-6-methylhepta-3,5-dienamide?
The IUPAC name of (3Z)-2-imino-6-methylhepta-3,5-dienamide (CID 126540319) is (3Z)-2-imino-6-methylhepta-3,5-dienamide.
What is the SMILES notation for (3Z)-2-imino-6-methylhepta-3,5-dienamide?
The canonical SMILES for (3Z)-2-imino-6-methylhepta-3,5-dienamide is [H]/N=C(\C=C/C=C(C)C)C(N)=O.
What is the InChIKey of (3Z)-2-imino-6-methylhepta-3,5-dienamide?
The InChIKey is LUAKYFALUSWJAB-AACIIYHXSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)4-3-5-7(9)8(10)11/h3-5,9H,1-2H3,(H2,10,11)/b5-3-,9-7+.
What are the key properties of (3Z)-2-imino-6-methylhepta-3,5-dienamide?
(3Z)-2-imino-6-methylhepta-3,5-dienamide has a molecular weight of 152.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-imino-6-methylhepta-3,5-dienamide is sourced from PubChem (CID 126540319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).