5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid

C10H15NO2 — CID 84658017

IUPAC5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCCc1cc(C(C)C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H15NO2/c1-4-7-5-8(6(2)3)9(11-7)10(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)
InChIKeyNMJVLHVSTHLSEF-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.40
Rot. Bonds3

About 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid

5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 84658017) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID84658017
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCCc1cc(C(C)C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H15NO2/c1-4-7-5-8(6(2)3)9(11-7)10(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)
InChIKeyNMJVLHVSTHLSEF-UHFFFAOYSA-N
XLogP2.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-6-oxo-3-propan-2-yl-1H-pyridine-2-carboxylic acid
CID 84729551
1-(5-ethyl-3-methyl-1H-pyrrol-2-yl)ethanone
CID 84649537
ethyl 5-methyl-3-propan-2-yl-1H-pyrrole-2-carboxylate
CID 14657234
(5-ethyl-3-methyl-1H-pyrrol-2-yl)-phenylmethanone
CID 14612003
6-ethyl-1-methyl-3-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 177147400
2-ethyl-1H-indole-5-carboxylic acid
CID 22708328
6-ethyl-4-propan-2-yl-1H-pyrimidin-2-one
CID 130056096
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
6-methyl-2-oxo-4-propan-2-yl-1H-pyridine-3-carboxylic acid
CID 15641805
3-fluoro-5-tetradecyl-1H-pyrrole-2-carboxylic acid
CID 142604481
4-[[3,5-di(propan-2-yl)-1H-pyrrole-2-carbonyl]amino]benzoic acid
CID 25189527
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 84658017) is 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid is CCc1cc(C(C)C)c(C(=O)O)[nH]1.
What is the InChIKey of 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is NMJVLHVSTHLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-7-5-8(6(2)3)9(11-7)10(12)13/h5-6,11H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid?
5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 84658017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).