(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine

C11H13NO3 — CID 88782471

IUPAC(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
SMILESCCCc1cc2c(cc1/C=N\O)OCO2
InChIInChI=1S/C11H13NO3/c1-2-3-8-4-10-11(15-7-14-10)5-9(8)6-12-13/h4-6,13H,2-3,7H2,1H3/b12-6-
InChIKeyACIYCDFNNVUFIN-SDQBBNPISA-N
MW207.23 g/mol
LogP2.18
Rot. Bonds3

About (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine

(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (PubChem CID 88782471) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
PubChem CID88782471
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
SMILESCCCc1cc2c(cc1/C=N\O)OCO2
InChIInChI=1S/C11H13NO3/c1-2-3-8-4-10-11(15-7-14-10)5-9(8)6-12-13/h4-6,13H,2-3,7H2,1H3/b12-6-
InChIKeyACIYCDFNNVUFIN-SDQBBNPISA-N
XLogP2.18
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(NE)-N-[[6-(2-trimethylsilylethynyl)-1,3-benzodioxol-5-yl]methylidene]hydroxylamine
CID 11821383
2-chloro-N'-(6-propyl-1,3-benzodioxol-5-yl)ethanimidamide
CID 169366862
2-cyano-5-(6-propyl-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
CID 54267991
(NE)-N-[(6-methyl-1,3-benzodioxol-4-yl)methylidene]hydroxylamine
CID 134485450
5-(propoxymethyl)-6-propyl-1,3-benzodioxole
CID 91665385
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
2-[(6-nitroso-1,3-benzodioxol-5-yl)methylidene]propanedial
CID 89187413
(6-propyl-1,3-benzodioxol-5-yl)methyl N-ethylcarbamate
CID 134094458
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethanol
CID 68583308
1-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-ethylthiourea
CID 6151911
5-(chloromethyl)-6-propyl-1,3-benzodioxole;5-propyl-1,3-benzodioxole
CID 163613157
N-[(2-heptylphenyl)methylidene]hydroxylamine
CID 160567988

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine (CID 88782471) is (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is CCCc1cc2c(cc1/C=N\O)OCO2.
What is the InChIKey of (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
The InChIKey is ACIYCDFNNVUFIN-SDQBBNPISA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-3-8-4-10-11(15-7-14-10)5-9(8)6-12-13/h4-6,13H,2-3,7H2,1H3/b12-6-.
What are the key properties of (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine?
(NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine has a molecular weight of 207.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6-propyl-1,3-benzodioxol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 88782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).