(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate

C11H9N4O2- — CID 7363983

IUPAC(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
SMILESCc1nnnn1/C(=C\c1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)/p-1/b10-7-
InChIKeyPTBNDKSHTBGKBT-YFHOEESVSA-M
MW229.22 g/mol
LogP-0.27
Rot. Bonds3

About (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate

(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate (PubChem CID 7363983) has the molecular formula C11H9N4O2- and a molecular weight of 229.22 g/mol. Its IUPAC name is (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
PubChem CID7363983
Molecular FormulaC11H9N4O2-
Molecular Weight229.22 g/mol
Exact Mass229.07
IUPAC Name(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
SMILESCc1nnnn1/C(=C\c1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)/p-1/b10-7-
InChIKeyPTBNDKSHTBGKBT-YFHOEESVSA-M
XLogP-0.27
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908907
(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
CID 110886280
naphthalen-1-ylmethyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908880
(E)-2-(5-methyltetrazol-1-yl)-3-phenyl-1-(4-propylpiperazin-4-ium-1-yl)prop-2-en-1-one
CID 7832344
(2-chloro-6-fluorophenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556916
(4-methylsulfanylphenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7557012
[2-(N-ethylanilino)-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 8572990
2-(4-chlorophenoxy)ethyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 6526656
[2-(2-methylanilino)-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556938
(2-phenoxyphenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556835
methyl 4-[[(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoyl]oxymethyl]benzoate
CID 6533691
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556978

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate?
The IUPAC name of (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate (CID 7363983) is (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate.
What is the SMILES notation for (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate?
The canonical SMILES for (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate is Cc1nnnn1/C(=C\c1ccccc1)C(=O)[O-].
What is the InChIKey of (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate?
The InChIKey is PTBNDKSHTBGKBT-YFHOEESVSA-M. The full InChI is InChI=1S/C11H10N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)/p-1/b10-7-.
What are the key properties of (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate?
(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate has a molecular weight of 229.22 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate is sourced from PubChem (CID 7363983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).