N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide

C12H15N3O4 — CID 107680976

IUPACN-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c16-10-3-1-2-9(15(18)19)12(10)14-11(17)6-8-4-5-13-7-8/h1-3,8,13,16H,4-7H2,(H,14,17)
InChIKeyAJJRDMPRQMGYOS-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.24
Rot. Bonds4

About N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide

N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 107680976) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
PubChem CID107680976
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c16-10-3-1-2-9(15(18)19)12(10)14-11(17)6-8-4-5-13-7-8/h1-3,8,13,16H,4-7H2,(H,14,17)
InChIKeyAJJRDMPRQMGYOS-UHFFFAOYSA-N
XLogP1.24
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
CID 81311080
N-(2-bromo-6-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 107600000
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide
CID 103109432
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide (CID 107680976) is N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is AJJRDMPRQMGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-3-1-2-9(15(18)19)12(10)14-11(17)6-8-4-5-13-7-8/h1-3,8,13,16H,4-7H2,(H,14,17).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide?
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 265.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 107680976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).