sodium;boranuide;cyclopropanecarbaldehyde

C4H10BNaO — CID 174059838

IUPACsodium;boranuide;cyclopropanecarbaldehyde
SMILESO=CC1CC1.[BH4-].[Na+]
InChIInChI=1S/C4H6O.BH4.Na/c5-3-4-1-2-4;;/h3-4H,1-2H2;1H4;/q;-1;+1
InChIKeyGGRPJRXXOPSXGM-UHFFFAOYSA-N
MW107.92 g/mol
LogP-3.85
Rot. Bonds1

About sodium;boranuide;cyclopropanecarbaldehyde

sodium;boranuide;cyclopropanecarbaldehyde (PubChem CID 174059838) has the molecular formula C4H10BNaO and a molecular weight of 107.92 g/mol. Its IUPAC name is sodium;boranuide;cyclopropanecarbaldehyde.

Molecular Properties

Compound Namesodium;boranuide;cyclopropanecarbaldehyde
PubChem CID174059838
Molecular FormulaC4H10BNaO
Molecular Weight107.92 g/mol
Exact Mass108.07
IUPAC Namesodium;boranuide;cyclopropanecarbaldehyde
SMILESO=CC1CC1.[BH4-].[Na+]
InChIInChI=1S/C4H6O.BH4.Na/c5-3-4-1-2-4;;/h3-4H,1-2H2;1H4;/q;-1;+1
InChIKeyGGRPJRXXOPSXGM-UHFFFAOYSA-N
XLogP-3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.92
LogP ≤ 5-3.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
cyclooctane-1,4-dicarbaldehyde
CID 19884381
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
cyclodecanecarbaldehyde
CID 13240747
cyclooctane-1,5-dicarbaldehyde
CID 18542113
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
CID 145223044
CID 145223044
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
4-cycloheptylcyclohexane-1-carbaldehyde
CID 118360341
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
4-hydroperoxycyclohexane-1-carbaldehyde
CID 145418949
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010

Frequently Asked Questions

What is the IUPAC name of sodium;boranuide;cyclopropanecarbaldehyde?
The IUPAC name of sodium;boranuide;cyclopropanecarbaldehyde (CID 174059838) is sodium;boranuide;cyclopropanecarbaldehyde.
What is the SMILES notation for sodium;boranuide;cyclopropanecarbaldehyde?
The canonical SMILES for sodium;boranuide;cyclopropanecarbaldehyde is O=CC1CC1.[BH4-].[Na+].
What is the InChIKey of sodium;boranuide;cyclopropanecarbaldehyde?
The InChIKey is GGRPJRXXOPSXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.BH4.Na/c5-3-4-1-2-4;;/h3-4H,1-2H2;1H4;/q;-1;+1.
What are the key properties of sodium;boranuide;cyclopropanecarbaldehyde?
sodium;boranuide;cyclopropanecarbaldehyde has a molecular weight of 107.92 g/mol, XLogP of -3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boranuide;cyclopropanecarbaldehyde is sourced from PubChem (CID 174059838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).