(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine

C9H14ClN3O — CID 20528220

IUPAC(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(CCl)/C(Cn1ccnc1)=N/O
InChIInChI=1S/C9H14ClN3O/c1-9(2,6-10)8(12-14)5-13-4-3-11-7-13/h3-4,7,14H,5-6H2,1-2H3/b12-8+
InChIKeyXQIIGKZWLCFZCB-XYOKQWHBSA-N
MW215.68 g/mol
LogP1.98
Rot. Bonds4

About (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 20528220) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID20528220
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(CCl)/C(Cn1ccnc1)=N/O
InChIInChI=1S/C9H14ClN3O/c1-9(2,6-10)8(12-14)5-13-4-3-11-7-13/h3-4,7,14H,5-6H2,1-2H3/b12-8+
InChIKeyXQIIGKZWLCFZCB-XYOKQWHBSA-N
XLogP1.98
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 152780262
N'-hydroxy-2-imidazol-1-ylethanimidamide
CID 24705664
1-imidazol-1-yl-3,3,5,5-tetramethylhexan-2-one
CID 13269102
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
(NE)-N-[3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-ylidene]hydroxylamine
CID 88747848
1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
chlorobenzene;1-imidazol-1-yl-3,3-dimethyl-4-sulfanylbutan-2-one
CID 19864090
1-(2-chloroethyl)imidazole;hydrochloride
CID 2757503
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
1-(3,3-dimethylhexyl)imidazole
CID 144603269

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 20528220) is (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine is CC(C)(CCl)/C(Cn1ccnc1)=N/O.
What is the InChIKey of (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is XQIIGKZWLCFZCB-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-9(2,6-10)8(12-14)5-13-4-3-11-7-13/h3-4,7,14H,5-6H2,1-2H3/b12-8+.
What are the key properties of (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 215.68 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-chloro-1-imidazol-1-yl-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 20528220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).