[2-amino-4-(furan-2-yl)phenyl]carbamic acid

C11H10N2O3 — CID 22224668

IUPAC[2-amino-4-(furan-2-yl)phenyl]carbamic acid
SMILESNc1cc(-c2ccco2)ccc1NC(=O)O
InChIInChI=1S/C11H10N2O3/c12-8-6-7(10-2-1-5-16-10)3-4-9(8)13-11(14)15/h1-6,13H,12H2,(H,14,15)
InChIKeyDDOQDKQGDNXOKG-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.62
Rot. Bonds2

About [2-amino-4-(furan-2-yl)phenyl]carbamic acid

[2-amino-4-(furan-2-yl)phenyl]carbamic acid (PubChem CID 22224668) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is [2-amino-4-(furan-2-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(furan-2-yl)phenyl]carbamic acid
PubChem CID22224668
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name[2-amino-4-(furan-2-yl)phenyl]carbamic acid
SMILESNc1cc(-c2ccco2)ccc1NC(=O)O
InChIInChI=1S/C11H10N2O3/c12-8-6-7(10-2-1-5-16-10)3-4-9(8)13-11(14)15/h1-6,13H,12H2,(H,14,15)
InChIKeyDDOQDKQGDNXOKG-UHFFFAOYSA-N
XLogP2.62
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(furan-2-yl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(furan-2-yl)phenyl]carbamic acid (CID 22224668) is [2-amino-4-(furan-2-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(furan-2-yl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(furan-2-yl)phenyl]carbamic acid is Nc1cc(-c2ccco2)ccc1NC(=O)O.
What is the InChIKey of [2-amino-4-(furan-2-yl)phenyl]carbamic acid?
The InChIKey is DDOQDKQGDNXOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-8-6-7(10-2-1-5-16-10)3-4-9(8)13-11(14)15/h1-6,13H,12H2,(H,14,15).
What are the key properties of [2-amino-4-(furan-2-yl)phenyl]carbamic acid?
[2-amino-4-(furan-2-yl)phenyl]carbamic acid has a molecular weight of 218.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(furan-2-yl)phenyl]carbamic acid is sourced from PubChem (CID 22224668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).