N'-(adamantane-1-carbonyl)furan-2-carbohydrazide

C16H20N2O3 — CID 2850517

IUPACN'-(adamantane-1-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C16H20N2O3/c19-14(13-2-1-3-21-13)17-18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,17,19)(H,18,20)
InChIKeyRHYGCUVOHREOHG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds2

About N'-(adamantane-1-carbonyl)furan-2-carbohydrazide

N'-(adamantane-1-carbonyl)furan-2-carbohydrazide (PubChem CID 2850517) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)furan-2-carbohydrazide
PubChem CID2850517
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN'-(adamantane-1-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1
InChIInChI=1S/C16H20N2O3/c19-14(13-2-1-3-21-13)17-18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,17,19)(H,18,20)
InChIKeyRHYGCUVOHREOHG-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 N'-(adamantane-1-carbonyl)furan-2-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)furan-2-carbohydrazide (CID 2850517) is N'-(adamantane-1-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)furan-2-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1.
What is the InChIKey of N'-(adamantane-1-carbonyl)furan-2-carbohydrazide?
The InChIKey is RHYGCUVOHREOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(13-2-1-3-21-13)17-18-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(adamantane-1-carbonyl)furan-2-carbohydrazide?
N'-(adamantane-1-carbonyl)furan-2-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 2850517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).