2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid

C21H19NO3 — CID 54144840

IUPAC2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)c2c(n(Cc3ccccc3)c3ccccc23)C1
InChIInChI=1S/C21H19NO3/c23-19-11-15(12-20(24)25)10-18-21(19)16-8-4-5-9-17(16)22(18)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,25)
InChIKeyODPXKDPUDDCMIA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.91
Rot. Bonds4

About 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid

2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid (PubChem CID 54144840) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid
PubChem CID54144840
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)c2c(n(Cc3ccccc3)c3ccccc23)C1
InChIInChI=1S/C21H19NO3/c23-19-11-15(12-20(24)25)10-18-21(19)16-8-4-5-9-17(16)22(18)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,25)
InChIKeyODPXKDPUDDCMIA-UHFFFAOYSA-N
XLogP3.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid?
The IUPAC name of 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid (CID 54144840) is 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid.
What is the SMILES notation for 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid?
The canonical SMILES for 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid is O=C(O)CC1CC(=O)c2c(n(Cc3ccccc3)c3ccccc23)C1.
What is the InChIKey of 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid?
The InChIKey is ODPXKDPUDDCMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-19-11-15(12-20(24)25)10-18-21(19)16-8-4-5-9-17(16)22(18)13-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,25).
What are the key properties of 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid?
2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid has a molecular weight of 333.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-4-oxo-2,3-dihydro-1H-carbazol-2-yl)acetic acid is sourced from PubChem (CID 54144840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).