3-phosphanylbutanehydrazide

C4H11N2OP — CID 163485274

IUPAC3-phosphanylbutanehydrazide
SMILESCC(P)CC(=O)NN
InChIInChI=1S/C4H11N2OP/c1-3(8)2-4(7)6-5/h3H,2,5,8H2,1H3,(H,6,7)
InChIKeyCIANEWKYJCJBTP-UHFFFAOYSA-N
MW134.12 g/mol
LogP-0.37
Rot. Bonds2

About 3-phosphanylbutanehydrazide

3-phosphanylbutanehydrazide (PubChem CID 163485274) has the molecular formula C4H11N2OP and a molecular weight of 134.12 g/mol. Its IUPAC name is 3-phosphanylbutanehydrazide.

Molecular Properties

Compound Name3-phosphanylbutanehydrazide
PubChem CID163485274
Molecular FormulaC4H11N2OP
Molecular Weight134.12 g/mol
Exact Mass134.06
IUPAC Name3-phosphanylbutanehydrazide
SMILESCC(P)CC(=O)NN
InChIInChI=1S/C4H11N2OP/c1-3(8)2-4(7)6-5/h3H,2,5,8H2,1H3,(H,6,7)
InChIKeyCIANEWKYJCJBTP-UHFFFAOYSA-N
XLogP-0.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-methylhexanedihydrazide
CID 141312622
3,3-difluoropropanehydrazide
CID 162600392
3,5,5-trimethylhexanehydrazide
CID 142619235
3-ethylsulfanylbutanehydrazide
CID 63582860
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
CID 63583760
3-propylsulfanylbutanehydrazide
CID 63582677
3-(aminomethyl)pentanehydrazide
CID 81079841

Frequently Asked Questions

What is the IUPAC name of 3-phosphanylbutanehydrazide?
The IUPAC name of 3-phosphanylbutanehydrazide (CID 163485274) is 3-phosphanylbutanehydrazide.
What is the SMILES notation for 3-phosphanylbutanehydrazide?
The canonical SMILES for 3-phosphanylbutanehydrazide is CC(P)CC(=O)NN.
What is the InChIKey of 3-phosphanylbutanehydrazide?
The InChIKey is CIANEWKYJCJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2OP/c1-3(8)2-4(7)6-5/h3H,2,5,8H2,1H3,(H,6,7).
What are the key properties of 3-phosphanylbutanehydrazide?
3-phosphanylbutanehydrazide has a molecular weight of 134.12 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylbutanehydrazide is sourced from PubChem (CID 163485274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).