2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate

C18H15NO4-2 — CID 7092357

IUPAC2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
SMILESCCn1c2ccc(CC(=O)[O-])cc2c2cc(CC(=O)[O-])ccc21
InChIInChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23)/p-2
InChIKeySPUIFQHIGRNTFJ-UHFFFAOYSA-L
MW309.32 g/mol
LogP0.40
Rot. Bonds5

About 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate

2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate (PubChem CID 7092357) has the molecular formula C18H15NO4-2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate.

Molecular Properties

Compound Name2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
PubChem CID7092357
Molecular FormulaC18H15NO4-2
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
SMILESCCn1c2ccc(CC(=O)[O-])cc2c2cc(CC(=O)[O-])ccc21
InChIInChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23)/p-2
InChIKeySPUIFQHIGRNTFJ-UHFFFAOYSA-L
XLogP0.40
TPSA85.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
9-ethylcarbazole-3-carboxylate
CID 7148416
4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile
CID 159512891
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
N-[9-ethyl-6-(hydroxymethyl)carbazol-3-yl]cyclohexanecarboxamide
CID 143174417
(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane
CID 143174379
9-ethylcarbazole-3-carboxylic acid
CID 4912869

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate?
The IUPAC name of 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate (CID 7092357) is 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate.
What is the SMILES notation for 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate?
The canonical SMILES for 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate is CCn1c2ccc(CC(=O)[O-])cc2c2cc(CC(=O)[O-])ccc21.
What is the InChIKey of 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate?
The InChIKey is SPUIFQHIGRNTFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23)/p-2.
What are the key properties of 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate?
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate has a molecular weight of 309.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate is sourced from PubChem (CID 7092357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).