2-methyl-3,4-dihydropyrrole-2-carboxylic acid

C6H9NO2 — CID 91365567

IUPAC2-methyl-3,4-dihydropyrrole-2-carboxylic acid
SMILESCC1(C(=O)O)CCC=N1
InChIInChI=1S/C6H9NO2/c1-6(5(8)9)3-2-4-7-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRMIWONVWWNZRGW-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.69
Rot. Bonds1

About 2-methyl-3,4-dihydropyrrole-2-carboxylic acid

2-methyl-3,4-dihydropyrrole-2-carboxylic acid (PubChem CID 91365567) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-methyl-3,4-dihydropyrrole-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydropyrrole-2-carboxylic acid
PubChem CID91365567
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-methyl-3,4-dihydropyrrole-2-carboxylic acid
SMILESCC1(C(=O)O)CCC=N1
InChIInChI=1S/C6H9NO2/c1-6(5(8)9)3-2-4-7-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRMIWONVWWNZRGW-UHFFFAOYSA-N
XLogP0.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydropyrrole-2-carboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydropyrrole-2-carboxylic acid (CID 91365567) is 2-methyl-3,4-dihydropyrrole-2-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydropyrrole-2-carboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydropyrrole-2-carboxylic acid is CC1(C(=O)O)CCC=N1.
What is the InChIKey of 2-methyl-3,4-dihydropyrrole-2-carboxylic acid?
The InChIKey is RMIWONVWWNZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(5(8)9)3-2-4-7-6/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-methyl-3,4-dihydropyrrole-2-carboxylic acid?
2-methyl-3,4-dihydropyrrole-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydropyrrole-2-carboxylic acid is sourced from PubChem (CID 91365567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).