(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide

C9H9N5O2 — CID 937595

IUPAC(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide
SMILESCn1nnc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C9H9N5O2/c1-14-12-9(11-13-14)10-8(15)5-4-7-3-2-6-16-7/h2-6H,1H3,(H,10,12,15)/b5-4+
InChIKeyMKLFGEARKPHMIW-SNAWJCMRSA-N
MW219.20 g/mol
LogP0.46
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide (PubChem CID 937595) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide
PubChem CID937595
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide
SMILESCn1nnc(NC(=O)/C=C/c2ccco2)n1
InChIInChI=1S/C9H9N5O2/c1-14-12-9(11-13-14)10-8(15)5-4-7-3-2-6-16-7/h2-6H,1H3,(H,10,12,15)/b5-4+
InChIKeyMKLFGEARKPHMIW-SNAWJCMRSA-N
XLogP0.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.46
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 (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide (CID 937595) is (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide is Cn1nnc(NC(=O)/C=C/c2ccco2)n1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide?
The InChIKey is MKLFGEARKPHMIW-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-12-9(11-13-14)10-8(15)5-4-7-3-2-6-16-7/h2-6H,1H3,(H,10,12,15)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide has a molecular weight of 219.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-methyltetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 937595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).