2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide

C14H14N6O — CID 137219877

IUPAC2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N6O/c1-2-7-15-13(21)9-20-18-14(17-19-20)11-8-16-12-6-4-3-5-10(11)12/h2-6,8,16H,1,7,9H2,(H,15,21)
InChIKeyCLIIURFURSRJFW-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.12
Rot. Bonds5

About 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide

2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide (PubChem CID 137219877) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide
PubChem CID137219877
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H14N6O/c1-2-7-15-13(21)9-20-18-14(17-19-20)11-8-16-12-6-4-3-5-10(11)12/h2-6,8,16H,1,7,9H2,(H,15,21)
InChIKeyCLIIURFURSRJFW-UHFFFAOYSA-N
XLogP1.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide (CID 137219877) is 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nnc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide?
The InChIKey is CLIIURFURSRJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-7-15-13(21)9-20-18-14(17-19-20)11-8-16-12-6-4-3-5-10(11)12/h2-6,8,16H,1,7,9H2,(H,15,21).
What are the key properties of 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide?
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide has a molecular weight of 282.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 137219877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).