N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

C15H16N2O4 — CID 9273889

IUPACN'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O4/c18-14(7-10-3-1-2-4-10)16-17-15(19)11-5-6-12-13(8-11)21-9-20-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyMGXKOEYWWKEPSA-SNVBAGLBSA-N
MW288.30 g/mol
LogP1.53
Rot. Bonds3

About N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 9273889) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID9273889
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O4/c18-14(7-10-3-1-2-4-10)16-17-15(19)11-5-6-12-13(8-11)21-9-20-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeyMGXKOEYWWKEPSA-SNVBAGLBSA-N
XLogP1.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-fluorobenzohydrazide
CID 9038011
N'-(2-cyclopent-2-en-1-ylacetyl)-4-methylbenzohydrazide
CID 46652039
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 11940962
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
CID 176500485
N'-(2-cyclopent-2-en-1-ylacetyl)-2-fluorobenzohydrazide
CID 47113476
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275355
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9327417

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 9273889) is N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is O=C(C[C@@H]1C=CCC1)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is MGXKOEYWWKEPSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(7-10-3-1-2-4-10)16-17-15(19)11-5-6-12-13(8-11)21-9-20-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 288.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 9273889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).