N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide

C17H25N3O3 — CID 3327909

IUPACN'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1
InChIInChI=1S/C17H25N3O3/c21-14(15(22)20-3-1-2-4-20)18-19-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,1-10H2,(H,18,21)(H,19,23)
InChIKeyGEQFGXWLGBTFKX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.97
Rot. Bonds1

About N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide

N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide (PubChem CID 3327909) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide
PubChem CID3327909
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1
InChIInChI=1S/C17H25N3O3/c21-14(15(22)20-3-1-2-4-20)18-19-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,1-10H2,(H,18,21)(H,19,23)
InChIKeyGEQFGXWLGBTFKX-UHFFFAOYSA-N
XLogP0.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide (CID 3327909) is N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1.
What is the InChIKey of N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide?
The InChIKey is GEQFGXWLGBTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-14(15(22)20-3-1-2-4-20)18-19-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,1-10H2,(H,18,21)(H,19,23).
What are the key properties of N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide?
N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide has a molecular weight of 319.41 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-2-pyrrolidin-1-ylacetyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 3327909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).