furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium

C14H15N2O+ — CID 7018698

IUPACfuran-2-ylmethyl(1H-indol-3-ylmethyl)azanium
SMILESc1coc(C[NH2+]Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H14N2O/c1-2-6-14-13(5-1)11(9-16-14)8-15-10-12-4-3-7-17-12/h1-7,9,15-16H,8,10H2/p+1
InChIKeyBBKIWSNSSIOBHU-UHFFFAOYSA-O
MW227.29 g/mol
LogP2.02
Rot. Bonds4

About furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium

furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium (PubChem CID 7018698) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl(1H-indol-3-ylmethyl)azanium
PubChem CID7018698
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC Namefuran-2-ylmethyl(1H-indol-3-ylmethyl)azanium
SMILESc1coc(C[NH2+]Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C14H14N2O/c1-2-6-14-13(5-1)11(9-16-14)8-15-10-12-4-3-7-17-12/h1-7,9,15-16H,8,10H2/p+1
InChIKeyBBKIWSNSSIOBHU-UHFFFAOYSA-O
XLogP2.02
TPSA45.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
2-[[furan-2-ylmethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42829521
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 19047782

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium (CID 7018698) is furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium is c1coc(C[NH2+]Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium?
The InChIKey is BBKIWSNSSIOBHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O/c1-2-6-14-13(5-1)11(9-16-14)8-15-10-12-4-3-7-17-12/h1-7,9,15-16H,8,10H2/p+1.
What are the key properties of furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium?
furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium has a molecular weight of 227.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(1H-indol-3-ylmethyl)azanium is sourced from PubChem (CID 7018698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).