1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide

C13H16N2O2 — CID 116844349

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C13H16N2O2/c14-15-12(16)13(5-1-6-13)10-2-3-11-9(8-10)4-7-17-11/h2-3,8H,1,4-7,14H2,(H,15,16)
InChIKeyNQEYIOKJUBIDOW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide

1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide (PubChem CID 116844349) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
PubChem CID116844349
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C13H16N2O2/c14-15-12(16)13(5-1-6-13)10-2-3-11-9(8-10)4-7-17-11/h2-3,8H,1,4-7,14H2,(H,15,16)
InChIKeyNQEYIOKJUBIDOW-UHFFFAOYSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)cyclohexane-1-carboxylic acid
CID 117367919
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(3-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
CID 99833738
1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide (CID 116844349) is 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide is NNC(=O)C1(c2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide?
The InChIKey is NQEYIOKJUBIDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-15-12(16)13(5-1-6-13)10-2-3-11-9(8-10)4-7-17-11/h2-3,8H,1,4-7,14H2,(H,15,16).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide?
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide has a molecular weight of 232.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).