2-(1-methyl-9H-carbazol-2-yl)acetic acid

C15H13NO2 — CID 54249777

IUPAC2-(1-methyl-9H-carbazol-2-yl)acetic acid
SMILESCc1c(CC(=O)O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H13NO2/c1-9-10(8-14(17)18)6-7-12-11-4-2-3-5-13(11)16-15(9)12/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyQVXYCNRTFCVMHO-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.26
Rot. Bonds2

About 2-(1-methyl-9H-carbazol-2-yl)acetic acid

2-(1-methyl-9H-carbazol-2-yl)acetic acid (PubChem CID 54249777) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1-methyl-9H-carbazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-9H-carbazol-2-yl)acetic acid
PubChem CID54249777
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(1-methyl-9H-carbazol-2-yl)acetic acid
SMILESCc1c(CC(=O)O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H13NO2/c1-9-10(8-14(17)18)6-7-12-11-4-2-3-5-13(11)16-15(9)12/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyQVXYCNRTFCVMHO-UHFFFAOYSA-N
XLogP3.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,2-dimethyl-9H-carbazole
CID 174760951
9H-carbazole;propanoic acid
CID 68841226
3,4-dimethyl-11H-pyrano[2,3-a]carbazol-2-one
CID 71519236
2-chloro-1-methyl-9H-carbazole
CID 154342995
9H-carbazole;carbonic acid
CID 67577328
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
9H-carbazole;2-(4-fluorophenyl)acetic acid
CID 175926186
9H-carbazol-1-ylmethanol
CID 10987211
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
2-(3-formyl-1H-indol-2-yl)acetic acid
CID 14636516

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-9H-carbazol-2-yl)acetic acid?
The IUPAC name of 2-(1-methyl-9H-carbazol-2-yl)acetic acid (CID 54249777) is 2-(1-methyl-9H-carbazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-9H-carbazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-9H-carbazol-2-yl)acetic acid is Cc1c(CC(=O)O)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(1-methyl-9H-carbazol-2-yl)acetic acid?
The InChIKey is QVXYCNRTFCVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-9-10(8-14(17)18)6-7-12-11-4-2-3-5-13(11)16-15(9)12/h2-7,16H,8H2,1H3,(H,17,18).
What are the key properties of 2-(1-methyl-9H-carbazol-2-yl)acetic acid?
2-(1-methyl-9H-carbazol-2-yl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-9H-carbazol-2-yl)acetic acid is sourced from PubChem (CID 54249777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).