(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide

C9H9N5O2 — CID 667628

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nn[nH]n2)o1
InChIInChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-5-8(15)10-9-11-13-14-12-9/h2-5H,1H3,(H2,10,11,12,13,14,15)/b5-4+
InChIKeyLYWIZGSMQODGRB-SNAWJCMRSA-N
MW219.20 g/mol
LogP0.75
Rot. Bonds3

About (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide (PubChem CID 667628) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide
PubChem CID667628
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nn[nH]n2)o1
InChIInChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-5-8(15)10-9-11-13-14-12-9/h2-5H,1H3,(H2,10,11,12,13,14,15)/b5-4+
InChIKeyLYWIZGSMQODGRB-SNAWJCMRSA-N
XLogP0.75
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide (CID 667628) is (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2nn[nH]n2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The InChIKey is LYWIZGSMQODGRB-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-5-8(15)10-9-11-13-14-12-9/h2-5H,1H3,(H2,10,11,12,13,14,15)/b5-4+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide has a molecular weight of 219.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(2H-tetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 667628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).