2-(5-nitropentyl)-1H-pyrrole

C9H14N2O2 — CID 67867044

IUPAC2-(5-nitropentyl)-1H-pyrrole
SMILESO=[N+]([O-])CCCCCc1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c12-11(13)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2
InChIKeyLSFSNPNMTNNJIT-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.00
Rot. Bonds6

About 2-(5-nitropentyl)-1H-pyrrole

2-(5-nitropentyl)-1H-pyrrole (PubChem CID 67867044) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(5-nitropentyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(5-nitropentyl)-1H-pyrrole
PubChem CID67867044
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(5-nitropentyl)-1H-pyrrole
SMILESO=[N+]([O-])CCCCCc1ccc[nH]1
InChIInChI=1S/C9H14N2O2/c12-11(13)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2
InChIKeyLSFSNPNMTNNJIT-UHFFFAOYSA-N
XLogP2.00
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(5-nitropentyl)-1H-pyrrole?
The IUPAC name of 2-(5-nitropentyl)-1H-pyrrole (CID 67867044) is 2-(5-nitropentyl)-1H-pyrrole.
What is the SMILES notation for 2-(5-nitropentyl)-1H-pyrrole?
The canonical SMILES for 2-(5-nitropentyl)-1H-pyrrole is O=[N+]([O-])CCCCCc1ccc[nH]1.
What is the InChIKey of 2-(5-nitropentyl)-1H-pyrrole?
The InChIKey is LSFSNPNMTNNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-11(13)8-3-1-2-5-9-6-4-7-10-9/h4,6-7,10H,1-3,5,8H2.
What are the key properties of 2-(5-nitropentyl)-1H-pyrrole?
2-(5-nitropentyl)-1H-pyrrole has a molecular weight of 182.22 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitropentyl)-1H-pyrrole is sourced from PubChem (CID 67867044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).