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

C6H10ClNO2 — CID 54611706

IUPAC5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCC1=NC(C(=O)O)CC1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-4-2-3-5(7-4)6(8)9;/h5H,2-3H2,1H3,(H,8,9);1H
InChIKeyFUUDIAWJUMPFSD-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.12
Rot. Bonds1

About 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride

5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 54611706) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
PubChem CID54611706
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCC1=NC(C(=O)O)CC1.Cl
InChIInChI=1S/C6H9NO2.ClH/c1-4-2-3-5(7-4)6(8)9;/h5H,2-3H2,1H3,(H,8,9);1H
InChIKeyFUUDIAWJUMPFSD-UHFFFAOYSA-N
XLogP1.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (CID 54611706) is 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride is CC1=NC(C(=O)O)CC1.Cl.
What is the InChIKey of 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is FUUDIAWJUMPFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c1-4-2-3-5(7-4)6(8)9;/h5H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54611706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).