N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C18H22IN3O — CID 136926135

IUPACN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C18H21N3O.HI/c1-2-11-19-18(20-12-9-16-7-5-14-22-16)21-13-10-15-6-3-4-8-17(15)21;/h2-8,14H,1,9-13H2,(H,19,20);1H
InChIKeyIEROMJVAOXAAPB-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.63
Rot. Bonds5

About N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 136926135) has the molecular formula C18H22IN3O and a molecular weight of 423.30 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID136926135
Molecular FormulaC18H22IN3O
Molecular Weight423.30 g/mol
Exact Mass423.08
IUPAC NameN'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC=CCN/C(=N\CCc1ccco1)N1CCc2ccccc21.I
InChIInChI=1S/C18H21N3O.HI/c1-2-11-19-18(20-12-9-16-7-5-14-22-16)21-13-10-15-6-3-4-8-17(15)21;/h2-8,14H,1,9-13H2,(H,19,20);1H
InChIKeyIEROMJVAOXAAPB-UHFFFAOYSA-N
XLogP3.63
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644
2-[[2,3-dihydroindol-1-yl-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111548686
4-benzyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide
CID 136925072
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
2-ethyl-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylthiomorpholine-4-carboximidamide
CID 136727070
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 136727011
methyl 1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidine-4-carboxylate
CID 136924166
N-ethyl-N'-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984737
2-[2-(furan-2-yl)ethyl]-1-prop-2-enyl-3-prop-2-ynylguanidine;hydroiodide
CID 136922974
2-[2-(furan-2-yl)ethyl]-1-(2-phenylsulfanylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 136920682
2-[1-[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 136727088

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 136926135) is N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is C=CCN/C(=N\CCc1ccco1)N1CCc2ccccc21.I.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is IEROMJVAOXAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.HI/c1-2-11-19-18(20-12-9-16-7-5-14-22-16)21-13-10-15-6-3-4-8-17(15)21;/h2-8,14H,1,9-13H2,(H,19,20);1H.
What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-N-prop-2-enyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 136926135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).