(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine

C11H14N2O2 — CID 177403154

IUPAC(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N/O)N2CC2C)cc1
InChIInChI=1S/C11H14N2O2/c1-8-7-13(8)11(12-14)9-3-5-10(15-2)6-4-9/h3-6,8,14H,7H2,1-2H3/b12-11-
InChIKeyFTTWEHDLFQYANH-QXMHVHEDSA-N
MW206.25 g/mol
LogP1.54
Rot. Bonds2

About (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine

(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine (PubChem CID 177403154) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine
PubChem CID177403154
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N/O)N2CC2C)cc1
InChIInChI=1S/C11H14N2O2/c1-8-7-13(8)11(12-14)9-3-5-10(15-2)6-4-9/h3-6,8,14H,7H2,1-2H3/b12-11-
InChIKeyFTTWEHDLFQYANH-QXMHVHEDSA-N
XLogP1.54
TPSA44.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
ethyl 2-[4-[(Z)-N-hydroxy-C-(2-methylaziridin-1-yl)carbonimidoyl]phenoxy]acetate
CID 177408738
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-(4-methoxyphenyl)-N-methyl-1-piperidin-1-ylmethanimine
CID 3049237
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113
(E)-3-(4-methoxyphenyl)-1-[(2R,5R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 1009678
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine (CID 177403154) is (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine is COc1ccc(/C(=N/O)N2CC2C)cc1.
What is the InChIKey of (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine?
The InChIKey is FTTWEHDLFQYANH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-7-13(8)11(12-14)9-3-5-10(15-2)6-4-9/h3-6,8,14H,7H2,1-2H3/b12-11-.
What are the key properties of (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine?
(NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine has a molecular weight of 206.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methoxyphenyl)-(2-methylaziridin-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 177403154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).