(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine

C10H16N3O2+ — CID 135612725

IUPAC(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
SMILESC/C=C/COCn1cc[n+](C)c1/C=N\O
InChIInChI=1S/C10H15N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h3-6,8H,7,9H2,1-2H3/p+1/b4-3+
InChIKeyNCYUQCRAHIPOLP-ONEGZZNKSA-O
MW210.26 g/mol
LogP0.67
Rot. Bonds5

About (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine

(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine (PubChem CID 135612725) has the molecular formula C10H16N3O2+ and a molecular weight of 210.26 g/mol. Its IUPAC name is (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
PubChem CID135612725
Molecular FormulaC10H16N3O2+
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
SMILESC/C=C/COCn1cc[n+](C)c1/C=N\O
InChIInChI=1S/C10H15N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h3-6,8H,7,9H2,1-2H3/p+1/b4-3+
InChIKeyNCYUQCRAHIPOLP-ONEGZZNKSA-O
XLogP0.67
TPSA50.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine (CID 135612725) is (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine is C/C=C/COCn1cc[n+](C)c1/C=N\O.
What is the InChIKey of (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine?
The InChIKey is NCYUQCRAHIPOLP-ONEGZZNKSA-O. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h3-6,8H,7,9H2,1-2H3/p+1/b4-3+.
What are the key properties of (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine?
(NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine has a molecular weight of 210.26 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[1-[[(E)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135612725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).