1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid

C18H21NO2 — CID 43671634

IUPAC1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1cccc2c1CCCC2
InChIInChI=1S/C18H21NO2/c1-12(2)19-16(10-11-17(19)18(20)21)15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyHJTMZGJUNPNLMY-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.31
Rot. Bonds3

About 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid

1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid (PubChem CID 43671634) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid
PubChem CID43671634
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid
SMILESCC(C)n1c(C(=O)O)ccc1-c1cccc2c1CCCC2
InChIInChI=1S/C18H21NO2/c1-12(2)19-16(10-11-17(19)18(20)21)15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyHJTMZGJUNPNLMY-UHFFFAOYSA-N
XLogP4.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid (CID 43671634) is 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid is CC(C)n1c(C(=O)O)ccc1-c1cccc2c1CCCC2.
What is the InChIKey of 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid?
The InChIKey is HJTMZGJUNPNLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)19-16(10-11-17(19)18(20)21)15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21).
What are the key properties of 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid?
1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43671634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).