2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide

C12H16N2O4 — CID 43006542

IUPAC2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCO2)c(C)o1
InChIInChI=1S/C12H16N2O4/c1-7-6-9(8(2)18-7)11(15)13-14-12(16)10-4-3-5-17-10/h6,10H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBNOODAFXSZSRGZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.84
Rot. Bonds2

About 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide

2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide (PubChem CID 43006542) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
PubChem CID43006542
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCCO2)c(C)o1
InChIInChI=1S/C12H16N2O4/c1-7-6-9(8(2)18-7)11(15)13-14-12(16)10-4-3-5-17-10/h6,10H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyBNOODAFXSZSRGZ-UHFFFAOYSA-N
XLogP0.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51229901
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide (CID 43006542) is 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCCO2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide?
The InChIKey is BNOODAFXSZSRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-6-9(8(2)18-7)11(15)13-14-12(16)10-4-3-5-17-10/h6,10H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide?
2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide has a molecular weight of 252.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide is sourced from PubChem (CID 43006542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).