3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide

C16H17N5O — CID 75416132

IUPAC3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C16H17N5O/c22-16(9-13(11-5-6-11)12-7-8-12)18-14-3-1-2-4-15(14)21-10-17-19-20-21/h1-4,9-12H,5-8H2,(H,18,22)
InChIKeyAYYZLJKQEJBHSZ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.35
Rot. Bonds5

About 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide

3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 75416132) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID75416132
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(C=C(C1CC1)C1CC1)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C16H17N5O/c22-16(9-13(11-5-6-11)12-7-8-12)18-14-3-1-2-4-15(14)21-10-17-19-20-21/h1-4,9-12H,5-8H2,(H,18,22)
InChIKeyAYYZLJKQEJBHSZ-UHFFFAOYSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 75416132) is 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide is O=C(C=C(C1CC1)C1CC1)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is AYYZLJKQEJBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(9-13(11-5-6-11)12-7-8-12)18-14-3-1-2-4-15(14)21-10-17-19-20-21/h1-4,9-12H,5-8H2,(H,18,22).
What are the key properties of 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide?
3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 295.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 75416132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).