1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid

C17H17NO2 — CID 43671726

IUPAC1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)CCC3)n1C1CC1
InChIInChI=1S/C17H17NO2/c19-17(20)16-9-8-15(18(16)14-6-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,8-10,14H,1-3,6-7H2,(H,19,20)
InChIKeyYGRHYRBDISRMPN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.68
Rot. Bonds3

About 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid

1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid (PubChem CID 43671726) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
PubChem CID43671726
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c(c2)CCC3)n1C1CC1
InChIInChI=1S/C17H17NO2/c19-17(20)16-9-8-15(18(16)14-6-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,8-10,14H,1-3,6-7H2,(H,19,20)
InChIKeyYGRHYRBDISRMPN-UHFFFAOYSA-N
XLogP3.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 43671824
5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
3-amino-1-cyclopentyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466918
6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82100029
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82100024
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
CID 82130354
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid (CID 43671726) is 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2ccc3c(c2)CCC3)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid?
The InChIKey is YGRHYRBDISRMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)16-9-8-15(18(16)14-6-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,8-10,14H,1-3,6-7H2,(H,19,20).
What are the key properties of 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid?
1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).