1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine

C22H28N4O2 — CID 110051016

IUPAC1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CC1CC(=O)N(C)C1c1ccccc1)NCCc1ccco1
InChIInChI=1S/C22H28N4O2/c1-3-12-23-22(24-13-11-19-10-7-14-28-19)25-16-18-15-20(27)26(2)21(18)17-8-5-4-6-9-17/h3-10,14,18,21H,1,11-13,15-16H2,2H3,(H2,23,24,25)
InChIKeyLEDYTYOOPLXEFB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.76
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine

1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine (PubChem CID 110051016) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
PubChem CID110051016
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CC1CC(=O)N(C)C1c1ccccc1)NCCc1ccco1
InChIInChI=1S/C22H28N4O2/c1-3-12-23-22(24-13-11-19-10-7-14-28-19)25-16-18-15-20(27)26(2)21(18)17-8-5-4-6-9-17/h3-10,14,18,21H,1,11-13,15-16H2,2H3,(H2,23,24,25)
InChIKeyLEDYTYOOPLXEFB-UHFFFAOYSA-N
XLogP2.76
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110051019
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 111160573
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-prop-2-enylguanidine;hydroiodide
CID 110982244
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-[2-(furan-2-yl)ethyl]-3-prop-2-enyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110050606
N-[3-[[[2-(furan-2-yl)ethylamino]-(prop-2-enylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 136920678
2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170
1-[2-(furan-2-yl)ethyl]-2-(3-piperidin-1-ylbutyl)-3-prop-2-enylguanidine;hydroiodide
CID 136701240
1-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)-3-prop-2-enylguanidine
CID 111710797
1-[2-(furan-2-yl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111707272
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-prop-2-enylguanidine
CID 110051946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine (CID 110051016) is 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\CC1CC(=O)N(C)C1c1ccccc1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
The InChIKey is LEDYTYOOPLXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-12-23-22(24-13-11-19-10-7-14-28-19)25-16-18-15-20(27)26(2)21(18)17-8-5-4-6-9-17/h3-10,14,18,21H,1,11-13,15-16H2,2H3,(H2,23,24,25).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine?
1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine has a molecular weight of 380.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110051016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).