N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride

C10H13ClN4O3 — CID 151218992

IUPACN-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccc(C(Cl)=NN=C(N)NO)cc1OC
InChIInChI=1S/C10H13ClN4O3/c1-17-7-4-3-6(5-8(7)18-2)9(11)13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15)
InChIKeyNLWHKZVWBYNOLJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.90
Rot. Bonds4

About N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride

N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride (PubChem CID 151218992) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride
PubChem CID151218992
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC NameN-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccc(C(Cl)=NN=C(N)NO)cc1OC
InChIInChI=1S/C10H13ClN4O3/c1-17-7-4-3-6(5-8(7)18-2)9(11)13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15)
InChIKeyNLWHKZVWBYNOLJ-UHFFFAOYSA-N
XLogP0.90
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.90
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
(1E)-N,4-dihydroxy-3-methoxybenzenecarboximidoyl chloride
CID 137028253
2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
CID 62484149
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
3,4-dimethoxybenzoic acid;methanol
CID 144580050
methylsulfanylmethyl 3,4-dimethoxybenzoate
CID 70677984
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
butan-1-amine;3,4-dimethoxybenzoyl chloride
CID 159626817
(E)-3-chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 5386812
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558

Frequently Asked Questions

What is the IUPAC name of N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride?
The IUPAC name of N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride (CID 151218992) is N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride?
The canonical SMILES for N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride is COc1ccc(C(Cl)=NN=C(N)NO)cc1OC.
What is the InChIKey of N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride?
The InChIKey is NLWHKZVWBYNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-17-7-4-3-6(5-8(7)18-2)9(11)13-14-10(12)15-16/h3-5,16H,1-2H3,(H3,12,14,15).
What are the key properties of N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride?
N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride has a molecular weight of 272.69 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 151218992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).