2H-tetrazol-5-yl prop-2-enoate

C4H4N4O2 — CID 19986209

IUPAC2H-tetrazol-5-yl prop-2-enoate
SMILESC=CC(=O)Oc1nn[nH]n1
InChIInChI=1S/C4H4N4O2/c1-2-3(9)10-4-5-7-8-6-4/h2H,1H2,(H,5,6,7,8)
InChIKeyGQACKJPLUNSZSS-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.71
Rot. Bonds2

About 2H-tetrazol-5-yl prop-2-enoate

2H-tetrazol-5-yl prop-2-enoate (PubChem CID 19986209) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 2H-tetrazol-5-yl prop-2-enoate.

Molecular Properties

Compound Name2H-tetrazol-5-yl prop-2-enoate
PubChem CID19986209
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name2H-tetrazol-5-yl prop-2-enoate
SMILESC=CC(=O)Oc1nn[nH]n1
InChIInChI=1S/C4H4N4O2/c1-2-3(9)10-4-5-7-8-6-4/h2H,1H2,(H,5,6,7,8)
InChIKeyGQACKJPLUNSZSS-UHFFFAOYSA-N
XLogP-0.71
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2H-tetrazol-5-yl formate
CID 19939000
(4-prop-2-enoxy-1,3,5-triazin-2-yl) prop-2-enoate
CID 175149649
[2,4,5-tribromo-3,6-di(prop-2-enoyloxy)phenyl] prop-2-enoate
CID 18714384
(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate
CID 70553499
(methylideneamino) prop-2-enoate
CID 141313735
(2,4,6-tribromo-3-prop-2-enoyloxyphenyl) prop-2-enoate
CID 22625259
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
[prop-2-enoyl-di(prop-2-enoyloxy)silyl] prop-2-enoate
CID 142740249
(2-methoxyphenyl) prop-2-enoate
CID 22987486
[4-(2-oxoethyl)phenyl] prop-2-enoate
CID 141400952
methyl prop-2-enoate;2H-triazole
CID 175001019
(4-amino-6-chloro-5-ethylpyridazin-3-yl) prop-2-enoate
CID 175332716

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazol-5-yl prop-2-enoate?
The IUPAC name of 2H-tetrazol-5-yl prop-2-enoate (CID 19986209) is 2H-tetrazol-5-yl prop-2-enoate.
What is the SMILES notation for 2H-tetrazol-5-yl prop-2-enoate?
The canonical SMILES for 2H-tetrazol-5-yl prop-2-enoate is C=CC(=O)Oc1nn[nH]n1.
What is the InChIKey of 2H-tetrazol-5-yl prop-2-enoate?
The InChIKey is GQACKJPLUNSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c1-2-3(9)10-4-5-7-8-6-4/h2H,1H2,(H,5,6,7,8).
What are the key properties of 2H-tetrazol-5-yl prop-2-enoate?
2H-tetrazol-5-yl prop-2-enoate has a molecular weight of 140.10 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazol-5-yl prop-2-enoate is sourced from PubChem (CID 19986209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).