[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium

C8H16N3O2+ — CID 171065734

IUPAC[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium
SMILES[H]/N=C(\C=C(\C)[NH2+]C)C(=O)N(C)OC
InChIInChI=1S/C8H15N3O2/c1-6(10-2)5-7(9)8(12)11(3)13-4/h5,9-10H,1-4H3/p+1/b6-5-,9-7+
InChIKeyWWDFDJGZQSULMG-BZWSEGBZSA-O
MW186.23 g/mol
LogP-0.88
Rot. Bonds4

About [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium

[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium (PubChem CID 171065734) has the molecular formula C8H16N3O2+ and a molecular weight of 186.23 g/mol. Its IUPAC name is [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium.

Molecular Properties

Compound Name[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium
PubChem CID171065734
Molecular FormulaC8H16N3O2+
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium
SMILES[H]/N=C(\C=C(\C)[NH2+]C)C(=O)N(C)OC
InChIInChI=1S/C8H15N3O2/c1-6(10-2)5-7(9)8(12)11(3)13-4/h5,9-10H,1-4H3/p+1/b6-5-,9-7+
InChIKeyWWDFDJGZQSULMG-BZWSEGBZSA-O
XLogP-0.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium?
The IUPAC name of [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium (CID 171065734) is [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium.
What is the SMILES notation for [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium?
The canonical SMILES for [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium is [H]/N=C(\C=C(\C)[NH2+]C)C(=O)N(C)OC.
What is the InChIKey of [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium?
The InChIKey is WWDFDJGZQSULMG-BZWSEGBZSA-O. The full InChI is InChI=1S/C8H15N3O2/c1-6(10-2)5-7(9)8(12)11(3)13-4/h5,9-10H,1-4H3/p+1/b6-5-,9-7+.
What are the key properties of [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium?
[(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium has a molecular weight of 186.23 g/mol, XLogP of -0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-imino-5-[methoxy(methyl)amino]-5-oxopent-2-en-2-yl]-methylazanium is sourced from PubChem (CID 171065734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).