2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine

C17H22N4O — CID 110913966

IUPAC2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)Nc1ccccc1
InChIInChI=1S/C17H22N4O/c18-17(20-14-7-2-1-3-8-14)19-13-15(16-9-6-12-22-16)21-10-4-5-11-21/h1-3,6-9,12,15H,4-5,10-11,13H2,(H3,18,19,20)
InChIKeyAHUROWNEEGIKID-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds5

About 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine

2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine (PubChem CID 110913966) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
PubChem CID110913966
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)Nc1ccccc1
InChIInChI=1S/C17H22N4O/c18-17(20-14-7-2-1-3-8-14)19-13-15(16-9-6-12-22-16)21-10-4-5-11-21/h1-3,6-9,12,15H,4-5,10-11,13H2,(H3,18,19,20)
InChIKeyAHUROWNEEGIKID-UHFFFAOYSA-N
XLogP2.84
TPSA66.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
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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Related Compounds

1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111028634
1-(3-ethylphenyl)-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111027456
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-2-ylguanidine
CID 119117303
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111028669
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924028
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine
CID 52502154
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine (CID 110913966) is 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine is N/C(=N\CC(c1ccco1)N1CCCC1)Nc1ccccc1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine?
The InChIKey is AHUROWNEEGIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-17(20-14-7-2-1-3-8-14)19-13-15(16-9-6-12-22-16)21-10-4-5-11-21/h1-3,6-9,12,15H,4-5,10-11,13H2,(H3,18,19,20).
What are the key properties of 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine?
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine has a molecular weight of 298.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylguanidine is sourced from PubChem (CID 110913966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).