[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol

C11H15N3O4 — CID 11448152

IUPAC[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol
SMILES[H]/N=C(\C)[C@H]1C[C@H](n2ccc([N+](=O)[O-])c2)O[C@@H]1CO
InChIInChI=1S/C11H15N3O4/c1-7(12)9-4-11(18-10(9)6-15)13-3-2-8(5-13)14(16)17/h2-3,5,9-12,15H,4,6H2,1H3/b12-7+/t9-,10-,11-/m1/s1
InChIKeyLMJWQROMQBSZFH-ZTIVXFSBSA-N
MW253.26 g/mol
LogP1.33
Rot. Bonds4

About [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol

[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol (PubChem CID 11448152) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol
PubChem CID11448152
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol
SMILES[H]/N=C(\C)[C@H]1C[C@H](n2ccc([N+](=O)[O-])c2)O[C@@H]1CO
InChIInChI=1S/C11H15N3O4/c1-7(12)9-4-11(18-10(9)6-15)13-3-2-8(5-13)14(16)17/h2-3,5,9-12,15H,4,6H2,1H3/b12-7+/t9-,10-,11-/m1/s1
InChIKeyLMJWQROMQBSZFH-ZTIVXFSBSA-N
XLogP1.33
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol (CID 11448152) is [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol is [H]/N=C(\C)[C@H]1C[C@H](n2ccc([N+](=O)[O-])c2)O[C@@H]1CO.
What is the InChIKey of [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol?
The InChIKey is LMJWQROMQBSZFH-ZTIVXFSBSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(12)9-4-11(18-10(9)6-15)13-3-2-8(5-13)14(16)17/h2-3,5,9-12,15H,4,6H2,1H3/b12-7+/t9-,10-,11-/m1/s1.
What are the key properties of [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol?
[(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol has a molecular weight of 253.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3-ethanimidoyl-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 11448152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).