5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride

C13H20ClNO3 — CID 2967736

IUPAC5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN1CCCC1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-2-5-11-10(8-12(17-11)13(15)16)9-14-6-3-4-7-14;/h8H,2-7,9H2,1H3,(H,15,16);1H
InChIKeyOHJWLPUSJAAASW-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.95
Rot. Bonds5

About 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride

5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride (PubChem CID 2967736) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride
PubChem CID2967736
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride
SMILESCCCc1oc(C(=O)O)cc1CN1CCCC1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-2-5-11-10(8-12(17-11)13(15)16)9-14-6-3-4-7-14;/h8H,2-7,9H2,1H3,(H,15,16);1H
InChIKeyOHJWLPUSJAAASW-UHFFFAOYSA-N
XLogP2.95
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride (CID 2967736) is 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride is CCCc1oc(C(=O)O)cc1CN1CCCC1.Cl.
What is the InChIKey of 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride?
The InChIKey is OHJWLPUSJAAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-2-5-11-10(8-12(17-11)13(15)16)9-14-6-3-4-7-14;/h8H,2-7,9H2,1H3,(H,15,16);1H.
What are the key properties of 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride?
5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2967736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).