2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

C20H25NO2 — CID 14201440

IUPAC2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESC=CC1CCC(CC)(CC(=O)O)c2[nH]c3c(CC)cccc3c21
InChIInChI=1S/C20H25NO2/c1-4-13-10-11-20(6-3,12-16(22)23)19-17(13)15-9-7-8-14(5-2)18(15)21-19/h4,7-9,13,21H,1,5-6,10-12H2,2-3H3,(H,22,23)
InChIKeyATXOZATVZXNMDI-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (PubChem CID 14201440) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
PubChem CID14201440
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESC=CC1CCC(CC)(CC(=O)O)c2[nH]c3c(CC)cccc3c21
InChIInChI=1S/C20H25NO2/c1-4-13-10-11-20(6-3,12-16(22)23)19-17(13)15-9-7-8-14(5-2)18(15)21-19/h4,7-9,13,21H,1,5-6,10-12H2,2-3H3,(H,22,23)
InChIKeyATXOZATVZXNMDI-UHFFFAOYSA-N
XLogP4.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The IUPAC name of 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (CID 14201440) is 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is C=CC1CCC(CC)(CC(=O)O)c2[nH]c3c(CC)cccc3c21.
What is the InChIKey of 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The InChIKey is ATXOZATVZXNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-13-10-11-20(6-3,12-16(22)23)19-17(13)15-9-7-8-14(5-2)18(15)21-19/h4,7-9,13,21H,1,5-6,10-12H2,2-3H3,(H,22,23).
What are the key properties of 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid has a molecular weight of 311.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-1,8-diethyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is sourced from PubChem (CID 14201440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).