(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid

C14H10N4O3 — CID 7363986

IUPAC(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)/b12-9-
InChIKeyYVQAGBCKIDNFLC-XFXZXTDPSA-N
MW282.26 g/mol
LogP2.02
Rot. Bonds4

About (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid (PubChem CID 7363986) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
PubChem CID7363986
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)/b12-9-
InChIKeyYVQAGBCKIDNFLC-XFXZXTDPSA-N
XLogP2.02
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid (CID 7363986) is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid is O=C(O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The InChIKey is YVQAGBCKIDNFLC-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)/b12-9-.
What are the key properties of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid has a molecular weight of 282.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid is sourced from PubChem (CID 7363986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).