2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide

C11H17N3O2 — CID 118188255

IUPAC2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCCN1CCCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C11H17N3O2/c1-2-13-4-3-5-14-7-9(11(15)12-16)6-10(14)8-13/h6-7,16H,2-5,8H2,1H3,(H,12,15)
InChIKeyKXNMIAHMMFFPPO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds2

About 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide

2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 118188255) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID118188255
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide
SMILESCCN1CCCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C11H17N3O2/c1-2-13-4-3-5-14-7-9(11(15)12-16)6-10(14)8-13/h6-7,16H,2-5,8H2,1H3,(H,12,15)
InChIKeyKXNMIAHMMFFPPO-UHFFFAOYSA-N
XLogP0.83
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide (CID 118188255) is 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide is CCN1CCCn2cc(C(=O)NO)cc2C1.
What is the InChIKey of 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is KXNMIAHMMFFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-4-3-5-14-7-9(11(15)12-16)6-10(14)8-13/h6-7,16H,2-5,8H2,1H3,(H,12,15).
What are the key properties of 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide?
2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 118188255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).