[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium

C20H21N2O+ — CID 138753187

IUPAC[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium
SMILESCCn1c2ccc(C[NH2+]C)cc2c2ccc(-c3ccco3)cc21
InChIInChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
InChIKeyUTFNBBWDJPFLJT-UHFFFAOYSA-O
MW305.40 g/mol
LogP3.77
Rot. Bonds4

About [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium

[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium (PubChem CID 138753187) has the molecular formula C20H21N2O+ and a molecular weight of 305.40 g/mol. Its IUPAC name is [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium.

Molecular Properties

Compound Name[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium
PubChem CID138753187
Molecular FormulaC20H21N2O+
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium
SMILESCCn1c2ccc(C[NH2+]C)cc2c2ccc(-c3ccco3)cc21
InChIInChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
InChIKeyUTFNBBWDJPFLJT-UHFFFAOYSA-O
XLogP3.77
TPSA34.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
CID 10542381
3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid
CID 514258
3-cyclohexyl-2-furan-3-yl-1-methyl-1H-indole-6-carboxylic acid
CID 514263
1-(Carboxymethyl)-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid
CID 514272
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-furan-3-yl-1H-indole-6-carboxylic acid
CID 6480931
3-(furan-3-yl)-1-methyl-1H-indole
CID 44410800
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
3-Cyclopentyl-2-(3-furyl)-1-methyl-indole-6-carboxylic acid
CID 514267
2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethan-1-amine hydrochloride
CID 2770996
1-Cyclohexyl-2-(3-furyl)-3-methyl-indole-5-carboxylic acid
CID 16076181
N-[2-(Furan-2-YL)ethyl]-1,2,3-trimethyl-1H-indole-5-carboxamide
CID 20940054

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium?
The IUPAC name of [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium (CID 138753187) is [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium.
What is the SMILES notation for [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium?
The canonical SMILES for [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium is CCn1c2ccc(C[NH2+]C)cc2c2ccc(-c3ccco3)cc21.
What is the InChIKey of [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium?
The InChIKey is UTFNBBWDJPFLJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1.
What are the key properties of [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium?
[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium has a molecular weight of 305.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methylazanium is sourced from PubChem (CID 138753187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).