(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid

C7H5N3O3 — CID 155433338

IUPAC(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid
SMILES[N-]=[N+]=N/C(=C/c1ccoc1)C(=O)O
InChIInChI=1S/C7H5N3O3/c8-10-9-6(7(11)12)3-5-1-2-13-4-5/h1-4H,(H,11,12)/b6-3+
InChIKeyUGQFHSFXFFCNGW-ZZXKWVIFSA-N
MW179.14 g/mol
LogP2.02
Rot. Bonds3

About (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid

(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid (PubChem CID 155433338) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid
PubChem CID155433338
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid
SMILES[N-]=[N+]=N/C(=C/c1ccoc1)C(=O)O
InChIInChI=1S/C7H5N3O3/c8-10-9-6(7(11)12)3-5-1-2-13-4-5/h1-4H,(H,11,12)/b6-3+
InChIKeyUGQFHSFXFFCNGW-ZZXKWVIFSA-N
XLogP2.02
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(furan-3-yl)prop-2-enoic acid
CID 643403
2-Cyano-3-(furan-3-yl)prop-2-enoic acid
CID 67832415
(4Z)-4-(furan-3-ylmethylidene)-2-methyl-1,3-oxazol-5-one
CID 125477374
3-(Furan-3-yl)prop-2-enoic acid
CID 736315
ethyl (Z)-2-azido-3-(furan-3-yl)prop-2-enoate
CID 135076539
2-Fluoro-3-(furan-3-yl)prop-2-enoic acid
CID 79726575
cis-3-Furanacrylic Acid
CID 1713667
(E)-3-(furan-3-yl)prop-2-enoate
CID 5566009
(2E,4E)-2-cyano-5-(furan-3-yl)penta-2,4-dienoic acid
CID 19772724
(2E,4E,6E)-2-cyano-7-(furan-3-yl)hepta-2,4,6-trienoic acid
CID 19772771
(E)-3-(furan-3-yl)prop-2-enoyl azide
CID 21788480
(E)-3-(furan-3-yl)-2-nitroprop-2-en-1-ol
CID 24879765

Frequently Asked Questions

What is the IUPAC name of (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid (CID 155433338) is (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid is [N-]=[N+]=N/C(=C/c1ccoc1)C(=O)O.
What is the InChIKey of (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid?
The InChIKey is UGQFHSFXFFCNGW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H5N3O3/c8-10-9-6(7(11)12)3-5-1-2-13-4-5/h1-4H,(H,11,12)/b6-3+.
What are the key properties of (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid?
(E)-2-azido-3-(furan-3-yl)prop-2-enoic acid has a molecular weight of 179.14 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-azido-3-(furan-3-yl)prop-2-enoic acid is sourced from PubChem (CID 155433338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).