(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine

C5H11NO3 — CID 14893824

IUPAC(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine
SMILESCOC(OC)/C(C)=N/O
InChIInChI=1S/C5H11NO3/c1-4(6-7)5(8-2)9-3/h5,7H,1-3H3/b6-4+
InChIKeyWIBYEQIPBJRAPV-GQCTYLIASA-N
MW133.15 g/mol
LogP0.46
Rot. Bonds3

About (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine

(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine (PubChem CID 14893824) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine
PubChem CID14893824
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine
SMILESCOC(OC)/C(C)=N/O
InChIInChI=1S/C5H11NO3/c1-4(6-7)5(8-2)9-3/h5,7H,1-3H3/b6-4+
InChIKeyWIBYEQIPBJRAPV-GQCTYLIASA-N
XLogP0.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

1,1-dimethoxypropane-2-thione
CID 87220026
(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
(NE)-N-(3-chlorobutan-2-ylidene)hydroxylamine
CID 12545781
N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
CID 157326609
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene
CID 10753573
N'-hydroxy-2-methoxypropanimidamide
CID 72581636
(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine
CID 13272513
(NE)-N-[3-[2-[[(3E)-3-hydroxyiminobutan-2-yl]amino]ethylamino]butan-2-ylidene]hydroxylamine
CID 15447622
(E)-4,4-dimethoxy-3-methylbut-2-enal
CID 11829567
2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one
CID 161372336
2,3-bis(methoxyimino)butanoic acid
CID 54102019

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine (CID 14893824) is (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine is COC(OC)/C(C)=N/O.
What is the InChIKey of (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine?
The InChIKey is WIBYEQIPBJRAPV-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO3/c1-4(6-7)5(8-2)9-3/h5,7H,1-3H3/b6-4+.
What are the key properties of (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine?
(NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine has a molecular weight of 133.15 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,1-dimethoxypropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 14893824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).