5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C8H13NO2 — CID 15234038

IUPAC5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESCC(C)C1=NC(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h5,7H,3-4H2,1-2H3,(H,10,11)
InChIKeyBIBGVGIOFORFKW-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.33
Rot. Bonds2

About 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid

5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (PubChem CID 15234038) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
PubChem CID15234038
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
SMILESCC(C)C1=NC(C(=O)O)CC1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h5,7H,3-4H2,1-2H3,(H,10,11)
InChIKeyBIBGVGIOFORFKW-UHFFFAOYSA-N
XLogP1.33
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid (CID 15234038) is 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid is CC(C)C1=NC(C(=O)O)CC1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
The InChIKey is BIBGVGIOFORFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)6-3-4-7(9-6)8(10)11/h5,7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid?
5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 15234038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).