2-(2-propanoylhydrazinyl)-N-propylacetamide

C8H17N3O2 — CID 87563910

IUPAC2-(2-propanoylhydrazinyl)-N-propylacetamide
SMILESCCCNC(=O)CNNC(=O)CC
InChIInChI=1S/C8H17N3O2/c1-3-5-9-8(13)6-10-11-7(12)4-2/h10H,3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyXAJJFVFQRILSKL-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.46
Rot. Bonds6

About 2-(2-propanoylhydrazinyl)-N-propylacetamide

2-(2-propanoylhydrazinyl)-N-propylacetamide (PubChem CID 87563910) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-propanoylhydrazinyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-propanoylhydrazinyl)-N-propylacetamide
PubChem CID87563910
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-(2-propanoylhydrazinyl)-N-propylacetamide
SMILESCCCNC(=O)CNNC(=O)CC
InChIInChI=1S/C8H17N3O2/c1-3-5-9-8(13)6-10-11-7(12)4-2/h10H,3-6H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyXAJJFVFQRILSKL-UHFFFAOYSA-N
XLogP-0.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(2-propanoylhydrazinyl)-N-propylacetamide?
The IUPAC name of 2-(2-propanoylhydrazinyl)-N-propylacetamide (CID 87563910) is 2-(2-propanoylhydrazinyl)-N-propylacetamide.
What is the SMILES notation for 2-(2-propanoylhydrazinyl)-N-propylacetamide?
The canonical SMILES for 2-(2-propanoylhydrazinyl)-N-propylacetamide is CCCNC(=O)CNNC(=O)CC.
What is the InChIKey of 2-(2-propanoylhydrazinyl)-N-propylacetamide?
The InChIKey is XAJJFVFQRILSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-5-9-8(13)6-10-11-7(12)4-2/h10H,3-6H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-(2-propanoylhydrazinyl)-N-propylacetamide?
2-(2-propanoylhydrazinyl)-N-propylacetamide has a molecular weight of 187.24 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propanoylhydrazinyl)-N-propylacetamide is sourced from PubChem (CID 87563910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).