3-[4-(aminomethyl)phenyl]-3H-furan-2-one

C11H11NO2 — CID 162787562

IUPAC3-[4-(aminomethyl)phenyl]-3H-furan-2-one
SMILESNCc1ccc(C2C=COC2=O)cc1
InChIInChI=1S/C11H11NO2/c12-7-8-1-3-9(4-2-8)10-5-6-14-11(10)13/h1-6,10H,7,12H2
InChIKeyCSWWUCFTAIGPTM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.30
Rot. Bonds2

About 3-[4-(aminomethyl)phenyl]-3H-furan-2-one

3-[4-(aminomethyl)phenyl]-3H-furan-2-one (PubChem CID 162787562) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-3H-furan-2-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-3H-furan-2-one
PubChem CID162787562
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-[4-(aminomethyl)phenyl]-3H-furan-2-one
SMILESNCc1ccc(C2C=COC2=O)cc1
InChIInChI=1S/C11H11NO2/c12-7-8-1-3-9(4-2-8)10-5-6-14-11(10)13/h1-6,10H,7,12H2
InChIKeyCSWWUCFTAIGPTM-UHFFFAOYSA-N
XLogP1.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
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[4-(1-methylazetidin-3-yl)phenyl]methanamine
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2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
CID 105472763
(4-phosphanylphenyl)methanamine
CID 21334668
CID 153380719
CID 153380719
[4-(bromomethyl)phenyl]methanamine
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4-(aminomethyl)benzeneselenol
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-3H-furan-2-one?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-3H-furan-2-one (CID 162787562) is 3-[4-(aminomethyl)phenyl]-3H-furan-2-one.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-3H-furan-2-one?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-3H-furan-2-one is NCc1ccc(C2C=COC2=O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-3H-furan-2-one?
The InChIKey is CSWWUCFTAIGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-7-8-1-3-9(4-2-8)10-5-6-14-11(10)13/h1-6,10H,7,12H2.
What are the key properties of 3-[4-(aminomethyl)phenyl]-3H-furan-2-one?
3-[4-(aminomethyl)phenyl]-3H-furan-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-3H-furan-2-one is sourced from PubChem (CID 162787562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).