(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

C17H14N2O4 — CID 71914744

IUPAC(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C17H14N2O4/c20-15-11(4-3-7-14(15)19(22)23)16(21)18-10-17(8-9-17)12-5-1-2-6-13(12)18/h1-7,20H,8-10H2
InChIKeyHDUQPYTZEJLNQL-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.99
Rot. Bonds2

About (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone

(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (PubChem CID 71914744) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
PubChem CID71914744
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C17H14N2O4/c20-15-11(4-3-7-14(15)19(22)23)16(21)18-10-17(8-9-17)12-5-1-2-6-13(12)18/h1-7,20H,8-10H2
InChIKeyHDUQPYTZEJLNQL-UHFFFAOYSA-N
XLogP2.99
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-4-nitro-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
CID 56794252
(4-nitro-5-propyl-1H-pyrazol-3-yl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
CID 99774409
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308
(2-hydroxy-3-nitrophenyl)-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 99717540
1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]
CID 12801637
2-(2,3-dihydroindole-1-carbonyl)-6-nitrobenzoic acid
CID 4313762
2-(2-hydroxy-3-nitrophenyl)benzoic acid
CID 150610038
(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 59004170
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
(2-chlorophenyl)-[1'-(2-phenylethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 59004054
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The IUPAC name of (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone (CID 71914744) is (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone.
What is the SMILES notation for (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The canonical SMILES for (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is O=C(c1cccc([N+](=O)[O-])c1O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
The InChIKey is HDUQPYTZEJLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-15-11(4-3-7-14(15)19(22)23)16(21)18-10-17(8-9-17)12-5-1-2-6-13(12)18/h1-7,20H,8-10H2.
What are the key properties of (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone?
(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone has a molecular weight of 310.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone is sourced from PubChem (CID 71914744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).