N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

C15H17N3O — CID 110984232

IUPACN-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c1-16-15(17-11-13-6-4-10-19-13)18-9-8-12-5-2-3-7-14(12)18/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyKQKQMVZKTHAFJD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds2

About N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984232) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984232
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H17N3O/c1-16-15(17-11-13-6-4-10-19-13)18-9-8-12-5-2-3-7-14(12)18/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyKQKQMVZKTHAFJD-UHFFFAOYSA-N
XLogP2.42
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
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'}

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Related Compounds

N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(furan-2-ylmethyl)urea
CID 46383463
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983393
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
methyl 5-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 110984907
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110984232) is N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is KQKQMVZKTHAFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-15(17-11-13-6-4-10-19-13)18-9-8-12-5-2-3-7-14(12)18/h2-7,10H,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).