sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride

C5H11ClN3NaO — CID 173348472

IUPACsodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride
SMILESC=NNNCC(Cl)CC=O.[H-].[Na+]
InChIInChI=1S/C5H10ClN3O.Na.H/c1-7-9-8-4-5(6)2-3-10;;/h3,5,8-9H,1-2,4H2;;/q;+1;-1
InChIKeyQFPJECKTRVGYFI-UHFFFAOYSA-N
MW187.61 g/mol
LogP-2.99
Rot. Bonds6

About sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride

sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride (PubChem CID 173348472) has the molecular formula C5H11ClN3NaO and a molecular weight of 187.61 g/mol. Its IUPAC name is sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride.

Molecular Properties

Compound Namesodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride
PubChem CID173348472
Molecular FormulaC5H11ClN3NaO
Molecular Weight187.61 g/mol
Exact Mass187.05
IUPAC Namesodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride
SMILESC=NNNCC(Cl)CC=O.[H-].[Na+]
InChIInChI=1S/C5H10ClN3O.Na.H/c1-7-9-8-4-5(6)2-3-10;;/h3,5,8-9H,1-2,4H2;;/q;+1;-1
InChIKeyQFPJECKTRVGYFI-UHFFFAOYSA-N
XLogP-2.99
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 5-2.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;3,3-dichloropropanal
CID 88605523
3,5-dichloropentanal
CID 18670684
3-methyl-4-(propylamino)butanal
CID 123538675
potassium;hydride;3-methylbutanal
CID 173363476
4-nitrosohepta-1,6-diene
CID 57286056
4-amino-2-(methylideneamino)hexanedial
CID 153242909
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
sodium;hydride;propanedial
CID 173359182
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
3-sulfanylpent-4-enal
CID 88930393
3-ethenoxypentanal
CID 175294702

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride?
The IUPAC name of sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride (CID 173348472) is sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride.
What is the SMILES notation for sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride?
The canonical SMILES for sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride is C=NNNCC(Cl)CC=O.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride?
The InChIKey is QFPJECKTRVGYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN3O.Na.H/c1-7-9-8-4-5(6)2-3-10;;/h3,5,8-9H,1-2,4H2;;/q;+1;-1.
What are the key properties of sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride?
sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride has a molecular weight of 187.61 g/mol, XLogP of -2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride is sourced from PubChem (CID 173348472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).