5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid

C6H9NO2 — CID 15125946

IUPAC5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
SMILESCC1C=C(C(=O)O)CN1
InChIInChI=1S/C6H9NO2/c1-4-2-5(3-7-4)6(8)9/h2,4,7H,3H2,1H3,(H,8,9)
InChIKeyYUHUBVWRCNMPQQ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

About 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid

5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (PubChem CID 15125946) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
PubChem CID15125946
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
SMILESCC1C=C(C(=O)O)CN1
InChIInChI=1S/C6H9NO2/c1-4-2-5(3-7-4)6(8)9/h2,4,7H,3H2,1H3,(H,8,9)
InChIKeyYUHUBVWRCNMPQQ-UHFFFAOYSA-N
XLogP-0.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Guvacine
CID 3532
Guvacine Hydrochloride
CID 11957555
CID 6971195
CID 6971195
1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid;chloride
CID 22368
2,5-Dihydro-1H-pyrrole-3-carboxylic acid
CID 44317253
2-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
CID 15125944
2-Methyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 15696614
2-Propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860455
2-Ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860456
Guvacine hydrobromide
CID 15560295
CID 40468028
CID 40468028
2,5-dihydro-1H-pyrrole-3-carboxylic acid hydrochloride
CID 163353787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (CID 15125946) is 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid is CC1C=C(C(=O)O)CN1.
What is the InChIKey of 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The InChIKey is YUHUBVWRCNMPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-2-5(3-7-4)6(8)9/h2,4,7H,3H2,1H3,(H,8,9).
What are the key properties of 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 15125946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).