4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C10H17NO2 — CID 24971830

IUPAC4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESCCCCCC1C=NC(C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-8-6-9(10(12)13)11-7-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyWISXHKIOSFJSMZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.11
Rot. Bonds5

About 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid

4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (PubChem CID 24971830) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
PubChem CID24971830
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESCCCCCC1C=NC(C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-8-6-9(10(12)13)11-7-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyWISXHKIOSFJSMZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (CID 24971830) is 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid is CCCCCC1C=NC(C(=O)O)C1.
What is the InChIKey of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The InChIKey is WISXHKIOSFJSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-8-6-9(10(12)13)11-7-8/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 24971830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).