1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide

C14H18N2O3 — CID 116844402

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C14H18N2O3/c15-16-13(17)14(5-1-2-6-14)10-3-4-11-12(9-10)19-8-7-18-11/h3-4,9H,1-2,5-8,15H2,(H,16,17)
InChIKeyCSKVQYIXCXBZPY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide (PubChem CID 116844402) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
PubChem CID116844402
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C14H18N2O3/c15-16-13(17)14(5-1-2-6-14)10-3-4-11-12(9-10)19-8-7-18-11/h3-4,9H,1-2,5-8,15H2,(H,16,17)
InChIKeyCSKVQYIXCXBZPY-UHFFFAOYSA-N
XLogP1.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451108
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451344
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 56684429
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 55547687

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide (CID 116844402) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide is NNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide?
The InChIKey is CSKVQYIXCXBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-16-13(17)14(5-1-2-6-14)10-3-4-11-12(9-10)19-8-7-18-11/h3-4,9H,1-2,5-8,15H2,(H,16,17).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 116844402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).