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

C12H17N3O3 — CID 63579888

IUPAC2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCCCC1=O
InChIInChI=1S/C12H17N3O3/c13-14-12(17)9-5-7-18-10(9)8-15-6-3-1-2-4-11(15)16/h5,7H,1-4,6,8,13H2,(H,14,17)
InChIKeyDZBJVZHRKPPOAM-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.79
Rot. Bonds3

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

2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63579888) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63579888
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCCCCC1=O
InChIInChI=1S/C12H17N3O3/c13-14-12(17)9-5-7-18-10(9)8-15-6-3-1-2-4-11(15)16/h5,7H,1-4,6,8,13H2,(H,14,17)
InChIKeyDZBJVZHRKPPOAM-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

2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 79469519
5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
CID 55214250
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
2-[(2,7-dioxoazepan-1-yl)methyl]furan-3-carboxylic acid
CID 43477648
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
3-bromo-4-[(2-oxopiperidin-1-yl)methyl]benzohydrazide
CID 102774809
5-methyl-4-[(2-oxoazocan-1-yl)methyl]thiophene-2-carbohydrazide
CID 80734427
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide (CID 63579888) is 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CN1CCCCCC1=O.
What is the InChIKey of 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is DZBJVZHRKPPOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-14-12(17)9-5-7-18-10(9)8-15-6-3-1-2-4-11(15)16/h5,7H,1-4,6,8,13H2,(H,14,17).
What are the key properties of 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide?
2-[(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 2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63579888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).