N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine

C7H11N3O — CID 145064518

IUPACN-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine
SMILESCC/C=C\c1nccn1NO
InChIInChI=1S/C7H11N3O/c1-2-3-4-7-8-5-6-10(7)9-11/h3-6,9,11H,2H2,1H3/b4-3-
InChIKeyMUMXJMAYYJSDLH-ARJAWSKDSA-N
MW153.18 g/mol
LogP1.24
Rot. Bonds3

About N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine

N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine (PubChem CID 145064518) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine
PubChem CID145064518
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine
SMILESCC/C=C\c1nccn1NO
InChIInChI=1S/C7H11N3O/c1-2-3-4-7-8-5-6-10(7)9-11/h3-6,9,11H,2H2,1H3/b4-3-
InChIKeyMUMXJMAYYJSDLH-ARJAWSKDSA-N
XLogP1.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(Z)-but-1-enyl]imidazole
CID 178159096
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
(E)-1-(1-propylimidazol-2-yl)pent-2-en-1-one
CID 103454256
4-(1-methylimidazol-2-yl)but-3-ene-1-thiol
CID 170477706
1-[2-[(E)-heptadec-1-enyl]imidazol-1-yl]ethanol
CID 141140701
(E)-1-hydroxy-4-(1-methylimidazol-2-yl)but-3-en-2-one
CID 134316804
2-[(E)-but-1-enyl]-3-chloropyrazine
CID 134454771
3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane
CID 156888166
benzene;but-1-enylbenzene
CID 157481332
1-(2-methylprop-1-enyl)-2-[(Z)-prop-1-enyl]imidazole
CID 170000442
methylidyne-[2-[(Z)-prop-1-enyl]imidazol-1-yl]azanium
CID 170064715
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine?
The IUPAC name of N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine (CID 145064518) is N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine.
What is the SMILES notation for N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine?
The canonical SMILES for N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine is CC/C=C\c1nccn1NO.
What is the InChIKey of N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine?
The InChIKey is MUMXJMAYYJSDLH-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-4-7-8-5-6-10(7)9-11/h3-6,9,11H,2H2,1H3/b4-3-.
What are the key properties of N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine?
N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine has a molecular weight of 153.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-but-1-enyl]imidazol-1-yl]hydroxylamine is sourced from PubChem (CID 145064518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).