(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine

C8H13N3O2 — CID 88687891

IUPAC(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
SMILESCOC(C)(C)/C(=N\O)n1ccnc1
InChIInChI=1S/C8H13N3O2/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7+
InChIKeyKZFVUGNMEPAEBA-JXMROGBWSA-N
MW183.21 g/mol
LogP0.94
Rot. Bonds2

About (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine

(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine (PubChem CID 88687891) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
PubChem CID88687891
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
SMILESCOC(C)(C)/C(=N\O)n1ccnc1
InChIInChI=1S/C8H13N3O2/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7+
InChIKeyKZFVUGNMEPAEBA-JXMROGBWSA-N
XLogP0.94
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine (CID 88687891) is (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine is COC(C)(C)/C(=N\O)n1ccnc1.
What is the InChIKey of (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine?
The InChIKey is KZFVUGNMEPAEBA-JXMROGBWSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,13-3)7(10-12)11-5-4-9-6-11/h4-6,12H,1-3H3/b10-7+.
What are the key properties of (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine?
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine is sourced from PubChem (CID 88687891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).