4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid

C10H11NO3 — CID 130553027

IUPAC4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESCC1(C(=O)c2c[nH]c(C(=O)O)c2)CC1
InChIInChI=1S/C10H11NO3/c1-10(2-3-10)8(12)6-4-7(9(13)14)11-5-6/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyLIYUVAPAUZTHRZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.70
Rot. Bonds3

About 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid

4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 130553027) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID130553027
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
SMILESCC1(C(=O)c2c[nH]c(C(=O)O)c2)CC1
InChIInChI=1S/C10H11NO3/c1-10(2-3-10)8(12)6-4-7(9(13)14)11-5-6/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKeyLIYUVAPAUZTHRZ-UHFFFAOYSA-N
XLogP1.70
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 62877078
4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764444
4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
CID 83154757
4-benzoyl-1H-pyrrole-2-carboxylic acid
CID 2763446
4-(2,4,6-trimethylbenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340298
4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162012
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
CID 1489186
4-methylsulfanyl-1H-pyrrole-2-carboxylic acid
CID 14684837
4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 43340312
4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 2764442
4-[2-methyl-5-[2-(1-methylcyclopropyl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxylic acid
CID 162041150
4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 103400367

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid (CID 130553027) is 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is CC1(C(=O)c2c[nH]c(C(=O)O)c2)CC1.
What is the InChIKey of 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is LIYUVAPAUZTHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(2-3-10)8(12)6-4-7(9(13)14)11-5-6/h4-5,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid?
4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropanecarbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 130553027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).