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

C10H18ClNO2 — CID 57357885

IUPAC4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCCCCCC1C=NC(C(=O)O)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-3-4-5-8-6-9(10(12)13)11-7-8;/h7-9H,2-6H2,1H3,(H,12,13);1H
InChIKeyMAKJGWPCDKINTR-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.53
Rot. Bonds5

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

4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 57357885) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
PubChem CID57357885
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCCCCCC1C=NC(C(=O)O)C1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-3-4-5-8-6-9(10(12)13)11-7-8;/h7-9H,2-6H2,1H3,(H,12,13);1H
InChIKeyMAKJGWPCDKINTR-UHFFFAOYSA-N
XLogP2.53
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.53
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;hydrochloride?
The IUPAC name of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (CID 57357885) is 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride is CCCCCC1C=NC(C(=O)O)C1.Cl.
What is the InChIKey of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is MAKJGWPCDKINTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-2-3-4-5-8-6-9(10(12)13)11-7-8;/h7-9H,2-6H2,1H3,(H,12,13);1H.
What are the key properties of 4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
4-pentyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 2.53, 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;hydrochloride is sourced from PubChem (CID 57357885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).