(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide

C19H23N3O2 — CID 90209361

IUPAC(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESCCN1CCn2cc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2C1
InChIInChI=1S/C19H23N3O2/c1-2-21-8-9-22-11-14(10-15(22)12-21)17-16(18(17)19(23)20-24)13-6-4-3-5-7-13/h3-7,10-11,16-18,24H,2,8-9,12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyNLJNDGIKRGRNAE-KZNAEPCWSA-N
MW325.41 g/mol
LogP2.33
Rot. Bonds4

About (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide

(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide (PubChem CID 90209361) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
PubChem CID90209361
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
SMILESCCN1CCn2cc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2C1
InChIInChI=1S/C19H23N3O2/c1-2-21-8-9-22-11-14(10-15(22)12-21)17-16(18(17)19(23)20-24)13-6-4-3-5-7-13/h3-7,10-11,16-18,24H,2,8-9,12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyNLJNDGIKRGRNAE-KZNAEPCWSA-N
XLogP2.33
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.33
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 (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide (CID 90209361) is (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide is CCN1CCn2cc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2C1.
What is the InChIKey of (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
The InChIKey is NLJNDGIKRGRNAE-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-21-8-9-22-11-14(10-15(22)12-21)17-16(18(17)19(23)20-24)13-6-4-3-5-7-13/h3-7,10-11,16-18,24H,2,8-9,12H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1.
What are the key properties of (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide?
(1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-(2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 90209361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).