N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide

C12H19N3O3 — CID 12988036

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc[nH]1)NO
InChIInChI=1S/C12H19N3O3/c16-11(15-18)7-3-1-2-4-8-14-12(17)10-6-5-9-13-10/h5-6,9,13,18H,1-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyZOFCVTKBZCTOHM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.20
Rot. Bonds8

About N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide (PubChem CID 12988036) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide
PubChem CID12988036
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc[nH]1)NO
InChIInChI=1S/C12H19N3O3/c16-11(15-18)7-3-1-2-4-8-14-12(17)10-6-5-9-13-10/h5-6,9,13,18H,1-4,7-8H2,(H,14,17)(H,15,16)
InChIKeyZOFCVTKBZCTOHM-UHFFFAOYSA-N
XLogP1.20
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide (CID 12988036) is N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide is O=C(CCCCCCNC(=O)c1ccc[nH]1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZOFCVTKBZCTOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11(15-18)7-3-1-2-4-8-14-12(17)10-6-5-9-13-10/h5-6,9,13,18H,1-4,7-8H2,(H,14,17)(H,15,16).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.20, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 12988036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).