4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine

C16H18N2O — CID 13362265

IUPAC4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine
SMILESC=CC/N=C1\CC(c2cc3ccccc3o2)CN1C
InChIInChI=1S/C16H18N2O/c1-3-8-17-16-10-13(11-18(16)2)15-9-12-6-4-5-7-14(12)19-15/h3-7,9,13H,1,8,10-11H2,2H3/b17-16+
InChIKeyZNUPAVIDALELKR-WUKNDPDISA-N
MW254.33 g/mol
LogP3.44
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine

4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine (PubChem CID 13362265) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine
PubChem CID13362265
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine
SMILESC=CC/N=C1\CC(c2cc3ccccc3o2)CN1C
InChIInChI=1S/C16H18N2O/c1-3-8-17-16-10-13(11-18(16)2)15-9-12-6-4-5-7-14(12)19-15/h3-7,9,13H,1,8,10-11H2,2H3/b17-16+
InChIKeyZNUPAVIDALELKR-WUKNDPDISA-N
XLogP3.44
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12528043
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CID 173415568
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CID 23312291
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CID 67154723
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
4-(1-benzofuran-2-yl)-3-(benzylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23878562
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
3-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 13245213
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3281882
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine (CID 13362265) is 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine is C=CC/N=C1\CC(c2cc3ccccc3o2)CN1C.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine?
The InChIKey is ZNUPAVIDALELKR-WUKNDPDISA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-8-17-16-10-13(11-18(16)2)15-9-12-6-4-5-7-14(12)19-15/h3-7,9,13H,1,8,10-11H2,2H3/b17-16+.
What are the key properties of 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine?
4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine has a molecular weight of 254.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-methyl-N-prop-2-enylpyrrolidin-2-imine is sourced from PubChem (CID 13362265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).