N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide

C20H24N4O — CID 143475935

IUPACN'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide
SMILESCC/C(=C\CN(C)C)c1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12
InChIInChI=1S/C20H24N4O/c1-4-14(9-10-24(2)3)17-13-22-18-8-7-15(12-16(17)18)23-20(21)19-6-5-11-25-19/h5-9,11-13,22H,4,10H2,1-3H3,(H2,21,23)/b14-9+
InChIKeyPIQGIFINUSPSFI-NTEUORMPSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds6

About N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide

N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 143475935) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide
PubChem CID143475935
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide
SMILESCC/C(=C\CN(C)C)c1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12
InChIInChI=1S/C20H24N4O/c1-4-14(9-10-24(2)3)17-13-22-18-8-7-15(12-16(17)18)23-20(21)19-6-5-11-25-19/h5-9,11-13,22H,4,10H2,1-3H3,(H2,21,23)/b14-9+
InChIKeyPIQGIFINUSPSFI-NTEUORMPSA-N
XLogP4.15
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide?
The IUPAC name of N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide (CID 143475935) is N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide.
What is the SMILES notation for N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide?
The canonical SMILES for N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide is CC/C(=C\CN(C)C)c1c[nH]c2ccc(/N=C(\N)c3ccco3)cc12.
What is the InChIKey of N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide?
The InChIKey is PIQGIFINUSPSFI-NTEUORMPSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-14(9-10-24(2)3)17-13-22-18-8-7-15(12-16(17)18)23-20(21)19-6-5-11-25-19/h5-9,11-13,22H,4,10H2,1-3H3,(H2,21,23)/b14-9+.
What are the key properties of N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide?
N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 336.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(E)-1-(dimethylamino)pent-2-en-3-yl]-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 143475935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).