ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate

C21H25NO3 — CID 144721750

IUPACethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate
SMILESCC.CCCn1c2ccc(C(C)=O)cc2c2c(C(=O)OC)cccc21
InChIInChI=1S/C19H19NO3.C2H6/c1-4-10-20-16-9-8-13(12(2)21)11-15(16)18-14(19(22)23-3)6-5-7-17(18)20;1-2/h5-9,11H,4,10H2,1-3H3;1-2H3
InChIKeyBZKAGXXUHRGZBI-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.22
Rot. Bonds4

About ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate

ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate (PubChem CID 144721750) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate
PubChem CID144721750
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Nameethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate
SMILESCC.CCCn1c2ccc(C(C)=O)cc2c2c(C(=O)OC)cccc21
InChIInChI=1S/C19H19NO3.C2H6/c1-4-10-20-16-9-8-13(12(2)21)11-15(16)18-14(19(22)23-3)6-5-7-17(18)20;1-2/h5-9,11H,4,10H2,1-3H3;1-2H3
InChIKeyBZKAGXXUHRGZBI-UHFFFAOYSA-N
XLogP5.22
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
CID 58544922
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
(6-acetyl-9-propylcarbazol-3-yl) acetate;1-(6-hydroxy-9-propylcarbazol-3-yl)ethanone
CID 157387035
9-propylcarbazole-3-carbonyl iodide
CID 88957757
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
1-[6-acetyl-9-[2-(diethylamino)ethyl]-5-fluorocarbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(diethylamino)ethyl]-7-fluorocarbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(diethylamino)ethyl]-5-methoxycarbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(diethylamino)ethyl]-5-methylcarbazol-3-yl]ethanone;1-[6-acetyl-9-[2-(diethylamino)ethyl]-7-methylcarbazol-3-yl]ethanone
CID 159040956
9-acetyl-6-[2-(propylamino)ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one;hydrochloride
CID 71179216
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
methyl 3-acetylbenzoate
CID 15094405
methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate
CID 46180205
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
2-[6-(2-carboxybenzoyl)-9-hexylcarbazole-3-carbonyl]benzoic acid
CID 135031024

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate?
The IUPAC name of ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate (CID 144721750) is ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate.
What is the SMILES notation for ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate?
The canonical SMILES for ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate is CC.CCCn1c2ccc(C(C)=O)cc2c2c(C(=O)OC)cccc21.
What is the InChIKey of ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate?
The InChIKey is BZKAGXXUHRGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3.C2H6/c1-4-10-20-16-9-8-13(12(2)21)11-15(16)18-14(19(22)23-3)6-5-7-17(18)20;1-2/h5-9,11H,4,10H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate?
ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-acetyl-9-propylcarbazole-4-carboxylate is sourced from PubChem (CID 144721750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).