N'-propan-2-ylacetohydrazide

C5H12N2O — CID 20535

IUPACN'-propan-2-ylacetohydrazide
SMILESCC(=O)NNC(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)6-7-5(3)8/h4,6H,1-3H3,(H,7,8)
InChIKeyBCKXMOHZATYPNV-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.04
Rot. Bonds2

About N'-propan-2-ylacetohydrazide

N'-propan-2-ylacetohydrazide (PubChem CID 20535) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-propan-2-ylacetohydrazide.

Molecular Properties

Compound NameN'-propan-2-ylacetohydrazide
PubChem CID20535
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-propan-2-ylacetohydrazide
SMILESCC(=O)NNC(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)6-7-5(3)8/h4,6H,1-3H3,(H,7,8)
InChIKeyBCKXMOHZATYPNV-UHFFFAOYSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-ylacetohydrazide?
The IUPAC name of N'-propan-2-ylacetohydrazide (CID 20535) is N'-propan-2-ylacetohydrazide.
What is the SMILES notation for N'-propan-2-ylacetohydrazide?
The canonical SMILES for N'-propan-2-ylacetohydrazide is CC(=O)NNC(C)C.
What is the InChIKey of N'-propan-2-ylacetohydrazide?
The InChIKey is BCKXMOHZATYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)6-7-5(3)8/h4,6H,1-3H3,(H,7,8).
What are the key properties of N'-propan-2-ylacetohydrazide?
N'-propan-2-ylacetohydrazide has a molecular weight of 116.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylacetohydrazide is sourced from PubChem (CID 20535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).