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

C7H12ClNO2 — CID 54599482

IUPAC4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCC1=NC(C(=O)O)CC1C.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-3-6(7(9)10)8-5(4)2;/h4,6H,3H2,1-2H3,(H,9,10);1H
InChIKeyZKJCBIUQOTVBEY-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.36
Rot. Bonds1

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

4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 54599482) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
PubChem CID54599482
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCC1=NC(C(=O)O)CC1C.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-3-6(7(9)10)8-5(4)2;/h4,6H,3H2,1-2H3,(H,9,10);1H
InChIKeyZKJCBIUQOTVBEY-UHFFFAOYSA-N
XLogP1.36
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid hydrochloride
CID 54611706
3,3a,4,5,6,7-hexahydro-2H-indole-2-carboxylic acid hydrochloride
CID 69567061
5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 409205
(2S,3S)-Methyl 3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45115905
4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 409206
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-(1-methylethyl)-, (S)-
CID 11073652
5-(Propan-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 15234038
2-(N-cyclohexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175575
2-(N-hexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175593
2-(C-methyl-N-pentylcarbonimidoyl)hexanoic acid
CID 23175605
2-Isocyanato-3-methylhexanoic acid
CID 57123669
2,3,3a,4,5,6-Hexahydrocyclopenta[b]pyrrole-2-carboxylic acid;hydrochloride
CID 57358874

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride (CID 54599482) is 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride is CC1=NC(C(=O)O)CC1C.Cl.
What is the InChIKey of 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is ZKJCBIUQOTVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-4-3-6(7(9)10)8-5(4)2;/h4,6H,3H2,1-2H3,(H,9,10);1H.
What are the key properties of 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride?
4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54599482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).