2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

C15H21N3O3 — CID 58465664

IUPAC2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19)
InChIKeyIRYNPILZVVOIKV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.53
Rot. Bonds2

About 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465664) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465664
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19)
InChIKeyIRYNPILZVVOIKV-UHFFFAOYSA-N
XLogP1.53
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.53
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-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465664) is 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is O=C(NO)c1cc2n(c1)CCN(C(=O)C1CCCCC1)C2.
What is the InChIKey of 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is IRYNPILZVVOIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(16-21)12-8-13-10-18(7-6-17(13)9-12)15(20)11-4-2-1-3-5-11/h8-9,11,21H,1-7,10H2,(H,16,19).
What are the key properties of 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).