N'-(3-methylbenzoyl)oxolane-2-carbohydrazide

C13H16N2O3 — CID 3128422

IUPACN'-(3-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C2CCCO2)c1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-5-10(8-9)12(16)14-15-13(17)11-6-3-7-18-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyIEAKKKYCSHLSFD-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds2

About N'-(3-methylbenzoyl)oxolane-2-carbohydrazide

N'-(3-methylbenzoyl)oxolane-2-carbohydrazide (PubChem CID 3128422) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-(3-methylbenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbenzoyl)oxolane-2-carbohydrazide
PubChem CID3128422
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-(3-methylbenzoyl)oxolane-2-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)C2CCCO2)c1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-5-10(8-9)12(16)14-15-13(17)11-6-3-7-18-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyIEAKKKYCSHLSFD-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

(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of N'-(3-methylbenzoyl)oxolane-2-carbohydrazide (CID 3128422) is N'-(3-methylbenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for N'-(3-methylbenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for N'-(3-methylbenzoyl)oxolane-2-carbohydrazide is Cc1cccc(C(=O)NNC(=O)C2CCCO2)c1.
What is the InChIKey of N'-(3-methylbenzoyl)oxolane-2-carbohydrazide?
The InChIKey is IEAKKKYCSHLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-2-5-10(8-9)12(16)14-15-13(17)11-6-3-7-18-11/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-methylbenzoyl)oxolane-2-carbohydrazide?
N'-(3-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'-(3-methylbenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 3128422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).