2-(1-adamantyl)acetohydrazide

C12H20N2O — CID 703003

IUPAC2-(1-adamantyl)acetohydrazide
SMILESNNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)
InChIKeyZORPHDZMMHDLAM-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.58
Rot. Bonds2

About 2-(1-adamantyl)acetohydrazide

2-(1-adamantyl)acetohydrazide (PubChem CID 703003) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(1-adamantyl)acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)acetohydrazide
PubChem CID703003
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(1-adamantyl)acetohydrazide
SMILESNNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)
InChIKeyZORPHDZMMHDLAM-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)acetohydrazide?
The IUPAC name of 2-(1-adamantyl)acetohydrazide (CID 703003) is 2-(1-adamantyl)acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)acetohydrazide is NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)acetohydrazide?
The InChIKey is ZORPHDZMMHDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-14-11(15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15).
What are the key properties of 2-(1-adamantyl)acetohydrazide?
2-(1-adamantyl)acetohydrazide has a molecular weight of 208.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)acetohydrazide is sourced from PubChem (CID 703003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).