N'-(2-methylbenzoyl)oxolane-2-carbohydrazide

C13H16N2O3 — CID 51164592

IUPACN'-(2-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCCO1
InChIInChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQKCKYBYXCHPAKR-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds2

About N'-(2-methylbenzoyl)oxolane-2-carbohydrazide

N'-(2-methylbenzoyl)oxolane-2-carbohydrazide (PubChem CID 51164592) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)oxolane-2-carbohydrazide
PubChem CID51164592
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-(2-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCCO1
InChIInChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQKCKYBYXCHPAKR-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.94
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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Related Compounds

(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-[2-(difluoromethoxy)benzoyl]oxolane-2-carbohydrazide
CID 86985910
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)oxolane-2-carbohydrazide (CID 51164592) is N'-(2-methylbenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)oxolane-2-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)C1CCCO1.
What is the InChIKey of N'-(2-methylbenzoyl)oxolane-2-carbohydrazide?
The InChIKey is QKCKYBYXCHPAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-2-3-6-10(9)12(16)14-15-13(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-methylbenzoyl)oxolane-2-carbohydrazide?
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide has a molecular weight of 248.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 51164592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).