N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine

C8H13N3O — CID 59872483

IUPACN-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine
SMILESC=C(CCn1ccnc1C)NO
InChIInChI=1S/C8H13N3O/c1-7(10-12)3-5-11-6-4-9-8(11)2/h4,6,10,12H,1,3,5H2,2H3
InChIKeyCNSWJDUJUIKZML-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.07
Rot. Bonds4

About N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine

N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine (PubChem CID 59872483) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine
PubChem CID59872483
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine
SMILESC=C(CCn1ccnc1C)NO
InChIInChI=1S/C8H13N3O/c1-7(10-12)3-5-11-6-4-9-8(11)2/h4,6,10,12H,1,3,5H2,2H3
InChIKeyCNSWJDUJUIKZML-UHFFFAOYSA-N
XLogP1.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.07
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

4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]methanol
CID 62223688
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
6-(2-methylimidazol-1-yl)hexan-3-ol
CID 106802505
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
CID 62016741
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine (CID 59872483) is N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine is C=C(CCn1ccnc1C)NO.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine?
The InChIKey is CNSWJDUJUIKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(10-12)3-5-11-6-4-9-8(11)2/h4,6,10,12H,1,3,5H2,2H3.
What are the key properties of N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine?
N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)but-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 59872483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).