1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid

C19H19NO2 — CID 117473482

IUPAC1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCCn1c2ccccc2c2cc(C3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C19H19NO2/c1-2-20-16-7-4-3-6-14(16)15-12-13(8-9-17(15)20)19(18(21)22)10-5-11-19/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,21,22)
InChIKeyAYXXHSOPCKZNRW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.32
Rot. Bonds3

About 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid

1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid (PubChem CID 117473482) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
PubChem CID117473482
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
SMILESCCn1c2ccccc2c2cc(C3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C19H19NO2/c1-2-20-16-7-4-3-6-14(16)15-12-13(8-9-17(15)20)19(18(21)22)10-5-11-19/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,21,22)
InChIKeyAYXXHSOPCKZNRW-UHFFFAOYSA-N
XLogP4.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid (CID 117473482) is 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid is CCn1c2ccccc2c2cc(C3(C(=O)O)CCC3)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid?
The InChIKey is AYXXHSOPCKZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-20-16-7-4-3-6-14(16)15-12-13(8-9-17(15)20)19(18(21)22)10-5-11-19/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,21,22).
What are the key properties of 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid?
1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117473482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).