(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine

C14H19NO4 — CID 10912415

IUPAC(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine
SMILESCC1(C)O[C@@H](/C=N/O)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C14H19NO4/c1-14(2)18-12(8-15-16)13(19-14)10-17-9-11-6-4-3-5-7-11/h3-8,12-13,16H,9-10H2,1-2H3/b15-8+/t12-,13-/m0/s1
InChIKeyULBRLXUQIURODP-NJAUWNEGSA-N
MW265.31 g/mol
LogP2.18
Rot. Bonds5

About (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine

(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine (PubChem CID 10912415) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine
PubChem CID10912415
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine
SMILESCC1(C)O[C@@H](/C=N/O)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C14H19NO4/c1-14(2)18-12(8-15-16)13(19-14)10-17-9-11-6-4-3-5-7-11/h3-8,12-13,16H,9-10H2,1-2H3/b15-8+/t12-,13-/m0/s1
InChIKeyULBRLXUQIURODP-NJAUWNEGSA-N
XLogP2.18
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S,6R)-3-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]methanol
CID 16758487
[(2R,3S,6R)-3-acetyloxy-6-[2-[(E)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 9556094
[(2S,3S,6R)-3-acetyloxy-6-[(2Z)-2-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]iminoethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758404
[(2S,3S,6R)-3-acetyloxy-6-[2-[(Z)-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentylidene]amino]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 16758484
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
5-(Phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 69091741
benzyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboximidate
CID 375641
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518409
methyl (Z,5R,6S,7Z)-7-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]imino-6-methoxy-5-methylhept-3-enoate
CID 16758516
benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 118147363
benzyl [(2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 141720193
N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
CID 173435371

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine (CID 10912415) is (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine is CC1(C)O[C@@H](/C=N/O)[C@H](COCc2ccccc2)O1.
What is the InChIKey of (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine?
The InChIKey is ULBRLXUQIURODP-NJAUWNEGSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)18-12(8-15-16)13(19-14)10-17-9-11-6-4-3-5-7-11/h3-8,12-13,16H,9-10H2,1-2H3/b15-8+/t12-,13-/m0/s1.
What are the key properties of (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine?
(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine has a molecular weight of 265.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 10912415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).