5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid

C14H13NO3 — CID 169464455

IUPAC5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
SMILESNCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H13NO3/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyAPGVODPXRXFJPF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.62
Rot. Bonds4

About 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid

5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid (PubChem CID 169464455) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
PubChem CID169464455
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid
SMILESNCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C14H13NO3/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8H,9,15H2,(H,16,17)
InChIKeyAPGVODPXRXFJPF-UHFFFAOYSA-N
XLogP2.62
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(3-hydroxyprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 169454193
5-[4-(3-cyanoprop-1-enyl)phenyl]furan-2-carboxylic acid
CID 170800668
5-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]furan-2-carboxylic acid
CID 169468485
5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]phenyl]furan-2-carboxylic acid
CID 170491448
1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
CID 169463829
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
5-[4-(1-methylcyclopropyl)phenyl]furan-2-carboxylic acid
CID 152990404
(E)-3-[4-(3-aminoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169464031
5-[4-(2-methylbutan-2-yl)phenyl]furan-2-carboxylic acid
CID 66257827
5-(4-butan-2-ylphenyl)furan-2-carboxylic acid
CID 63423966
5-[4-[formyl(methyl)amino]phenyl]furan-2-carboxylic acid
CID 173162831
5-[4-(1,2,3-trihydroxypropyl)phenyl]furan-2-carboxylic acid
CID 170818849

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid (CID 169464455) is 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid is NCC=Cc1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid?
The InChIKey is APGVODPXRXFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c15-9-1-2-10-3-5-11(6-4-10)12-7-8-13(18-12)14(16)17/h1-8H,9,15H2,(H,16,17).
What are the key properties of 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid?
5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminoprop-1-enyl)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 169464455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).