5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide

C12H17N3O3 — CID 63577370

IUPAC5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCCCCC2=O)c1
InChIInChI=1S/C12H17N3O3/c13-14-12(17)9-6-10(18-8-9)7-15-5-3-1-2-4-11(15)16/h6,8H,1-5,7,13H2,(H,14,17)
InChIKeyNBCWWBOZALLJLH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds3

About 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide

5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63577370) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63577370
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCCCCC2=O)c1
InChIInChI=1S/C12H17N3O3/c13-14-12(17)9-6-10(18-8-9)7-15-5-3-1-2-4-11(15)16/h6,8H,1-5,7,13H2,(H,14,17)
InChIKeyNBCWWBOZALLJLH-UHFFFAOYSA-N
XLogP0.79
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.79
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

5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
CID 55214250
2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63579888
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
3-bromo-4-[(2-oxopiperidin-1-yl)methyl]benzohydrazide
CID 102774809
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
5-bromo-N-[3-(2-oxoazepan-1-yl)propyl]furan-3-carboxamide
CID 154835150
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
CID 79886873
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
5-(cyclohexylsulfanylmethyl)furan-3-carbohydrazide
CID 55215056
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide (CID 63577370) is 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(CN2CCCCCC2=O)c1.
What is the InChIKey of 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is NBCWWBOZALLJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-14-12(17)9-6-10(18-8-9)7-15-5-3-1-2-4-11(15)16/h6,8H,1-5,7,13H2,(H,14,17).
What are the key properties of 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63577370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).