1-(1-benzofuran-2-yl)propan-2-imine

C11H11NO — CID 91044336

IUPAC1-(1-benzofuran-2-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1cc2ccccc2o1
InChIInChI=1S/C11H11NO/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7,12H,6H2,1H3/b12-8+
InChIKeyCFHOVGSKGXLALD-XYOKQWHBSA-N
MW173.22 g/mol
LogP3.01
Rot. Bonds2

About 1-(1-benzofuran-2-yl)propan-2-imine

1-(1-benzofuran-2-yl)propan-2-imine (PubChem CID 91044336) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)propan-2-imine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)propan-2-imine
PubChem CID91044336
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-(1-benzofuran-2-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1cc2ccccc2o1
InChIInChI=1S/C11H11NO/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7,12H,6H2,1H3/b12-8+
InChIKeyCFHOVGSKGXLALD-XYOKQWHBSA-N
XLogP3.01
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 156725408
CID 156725408
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
2-decyl-1-benzofuran
CID 15365265
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
methyl 2-oxochromene-3-carboximidothioate
CID 86174846

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)propan-2-imine?
The IUPAC name of 1-(1-benzofuran-2-yl)propan-2-imine (CID 91044336) is 1-(1-benzofuran-2-yl)propan-2-imine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)propan-2-imine?
The canonical SMILES for 1-(1-benzofuran-2-yl)propan-2-imine is [H]/N=C(\C)Cc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)propan-2-imine?
The InChIKey is CFHOVGSKGXLALD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(12)6-10-7-9-4-2-3-5-11(9)13-10/h2-5,7,12H,6H2,1H3/b12-8+.
What are the key properties of 1-(1-benzofuran-2-yl)propan-2-imine?
1-(1-benzofuran-2-yl)propan-2-imine has a molecular weight of 173.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)propan-2-imine is sourced from PubChem (CID 91044336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).