sodium N-propan-2-ylidenehydroxylamine

C3H7NNaO+ — CID 19068199

IUPACsodium N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.[Na+]
InChIInChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1
InChIKeyCSVSCECTZOBDCR-UHFFFAOYSA-N
MW96.08 g/mol
LogP-2.14
Rot. Bonds

About sodium N-propan-2-ylidenehydroxylamine

sodium N-propan-2-ylidenehydroxylamine (PubChem CID 19068199) has the molecular formula C3H7NNaO+ and a molecular weight of 96.08 g/mol. Its IUPAC name is sodium N-propan-2-ylidenehydroxylamine.

Molecular Properties

Compound Namesodium N-propan-2-ylidenehydroxylamine
PubChem CID19068199
Molecular FormulaC3H7NNaO+
Molecular Weight96.08 g/mol
Exact Mass96.04
IUPAC Namesodium N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.[Na+]
InChIInChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1
InChIKeyCSVSCECTZOBDCR-UHFFFAOYSA-N
XLogP-2.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

sodium N-hydroxyethanimidate
CID 102059901
cyclohexane;N-propan-2-ylidenehydroxylamine
CID 157398506
carbamic acid;N-propan-2-ylidenehydroxylamine
CID 22915581
N-hydroxyethanimidoyl iodide
CID 173361883
(1E)-N-hydroxyethanimidoyl fluoride
CID 142994151
sodium N-oxidopropan-2-imine
CID 23680170
fluorobenzene;N-propan-2-ylidenehydroxylamine
CID 174410539
methyl(propan-2-ylidene)silane
CID 173237496
(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
CID 137315895
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
CID 135897357
N'-methyl-N-(propan-2-ylideneamino)methanimidamide
CID 129046835
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of sodium N-propan-2-ylidenehydroxylamine?
The IUPAC name of sodium N-propan-2-ylidenehydroxylamine (CID 19068199) is sodium N-propan-2-ylidenehydroxylamine.
What is the SMILES notation for sodium N-propan-2-ylidenehydroxylamine?
The canonical SMILES for sodium N-propan-2-ylidenehydroxylamine is CC(C)=NO.[Na+].
What is the InChIKey of sodium N-propan-2-ylidenehydroxylamine?
The InChIKey is CSVSCECTZOBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.Na/c1-3(2)4-5;/h5H,1-2H3;/q;+1.
What are the key properties of sodium N-propan-2-ylidenehydroxylamine?
sodium N-propan-2-ylidenehydroxylamine has a molecular weight of 96.08 g/mol, XLogP of -2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 19068199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).