5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran

C15H11NO3 — CID 150805436

IUPAC5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran
SMILESCc1ccc2coc(-c3ccc([N+](=O)[O-])cc3)cc1-2
InChIInChI=1S/C15H11NO3/c1-10-2-3-12-9-19-15(8-14(10)12)11-4-6-13(7-5-11)16(17)18/h2-9H,1H3
InChIKeyKGTNUGCLRQADNM-UHFFFAOYSA-N
MW253.26 g/mol
LogP4.27
Rot. Bonds2

About 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran

5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran (PubChem CID 150805436) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran.

Molecular Properties

Compound Name5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran
PubChem CID150805436
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran
SMILESCc1ccc2coc(-c3ccc([N+](=O)[O-])cc3)cc1-2
InChIInChI=1S/C15H11NO3/c1-10-2-3-12-9-19-15(8-14(10)12)11-4-6-13(7-5-11)16(17)18/h2-9H,1H3
InChIKeyKGTNUGCLRQADNM-UHFFFAOYSA-N
XLogP4.27
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran?
The IUPAC name of 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran (CID 150805436) is 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran.
What is the SMILES notation for 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran?
The canonical SMILES for 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran is Cc1ccc2coc(-c3ccc([N+](=O)[O-])cc3)cc1-2.
What is the InChIKey of 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran?
The InChIKey is KGTNUGCLRQADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10-2-3-12-9-19-15(8-14(10)12)11-4-6-13(7-5-11)16(17)18/h2-9H,1H3.
What are the key properties of 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran?
5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran has a molecular weight of 253.26 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran is sourced from PubChem (CID 150805436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).