(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide

C17H21NO2 — CID 5350473

IUPAC(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C17H21NO2/c1-20-15-7-3-12(4-8-15)5-9-17(19)18-16-11-13-2-6-14(16)10-13/h3-5,7-9,13-14,16H,2,6,10-11H2,1H3,(H,18,19)/b9-5+
InChIKeyRHFXGQIGRWFLRW-WEVVVXLNSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds4

About (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 5350473) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID5350473
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C17H21NO2/c1-20-15-7-3-12(4-8-15)5-9-17(19)18-16-11-13-2-6-14(16)10-13/h3-5,7-9,13-14,16H,2,6,10-11H2,1H3,(H,18,19)/b9-5+
InChIKeyRHFXGQIGRWFLRW-WEVVVXLNSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 5350473) is (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is RHFXGQIGRWFLRW-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-15-7-3-12(4-8-15)5-9-17(19)18-16-11-13-2-6-14(16)10-13/h3-5,7-9,13-14,16H,2,6,10-11H2,1H3,(H,18,19)/b9-5+.
What are the key properties of (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5350473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).