1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]

C16H15N3O2 — CID 133340095

IUPAC1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESCc1cc(N2CC3(CC3)c3ccccc32)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O2/c1-11-8-15(17-9-14(11)19(20)21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyOTJXDNUSTZXPEP-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.48
Rot. Bonds2

About 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]

1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 133340095) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]
PubChem CID133340095
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESCc1cc(N2CC3(CC3)c3ccccc32)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O2/c1-11-8-15(17-9-14(11)19(20)21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyOTJXDNUSTZXPEP-UHFFFAOYSA-N
XLogP3.48
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane] (CID 133340095) is 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane] is Cc1cc(N2CC3(CC3)c3ccccc32)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is OTJXDNUSTZXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-8-15(17-9-14(11)19(20)21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane]?
1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 281.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-nitro-2-pyridinyl)spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 133340095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).