ethane;propanehydrazide

C5H14N2O — CID 143310399

IUPACethane;propanehydrazide
SMILESCC.CCC(=O)NN
InChIInChI=1S/C3H8N2O.C2H6/c1-2-3(6)5-4;1-2/h2,4H2,1H3,(H,5,6);1-2H3
InChIKeyPMZKTAJTDPZHGG-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.41
Rot. Bonds1

About ethane;propanehydrazide

ethane;propanehydrazide (PubChem CID 143310399) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is ethane;propanehydrazide.

Molecular Properties

Compound Nameethane;propanehydrazide
PubChem CID143310399
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Nameethane;propanehydrazide
SMILESCC.CCC(=O)NN
InChIInChI=1S/C3H8N2O.C2H6/c1-2-3(6)5-4;1-2/h2,4H2,1H3,(H,5,6);1-2H3
InChIKeyPMZKTAJTDPZHGG-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.41
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;propanehydrazide?
The IUPAC name of ethane;propanehydrazide (CID 143310399) is ethane;propanehydrazide.
What is the SMILES notation for ethane;propanehydrazide?
The canonical SMILES for ethane;propanehydrazide is CC.CCC(=O)NN.
What is the InChIKey of ethane;propanehydrazide?
The InChIKey is PMZKTAJTDPZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.C2H6/c1-2-3(6)5-4;1-2/h2,4H2,1H3,(H,5,6);1-2H3.
What are the key properties of ethane;propanehydrazide?
ethane;propanehydrazide has a molecular weight of 118.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propanehydrazide is sourced from PubChem (CID 143310399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).